@article{AllanBossdorfDormannetal.2014, author = {Allan, Eric and Bossdorf, Oliver and Dormann, Carsten F. and Prati, Daniel and Gossner, Martin M. and Tscharntke, Teja and Bl{\"u}thgen, Nico and Bellach, Michaela and Birkhofer, Klaus and Boch, Steffen and B{\"o}hm, Stefan and B{\"o}rschig, Carmen and Chatzinotas, Antonis and Christ, Sabina and Daniel, Rolf and Diek{\"o}tter, Tim and Fischer, Christiane and Friedl, Thomas and Glaser, Karin and Hallmann, Christine and Hodac, Ladislav and H{\"o}lzel, Norbert and Jung, Kirsten and Klein, Alexandra-Maria and Klaus, Valentin H. and Kleinebecker, Till and Krauss, Jochen and Lange, Markus and Morris, E. Kathryn and M{\"u}ller, J{\"o}rg and Nacke, Heiko and Pasalic, Esther and Rillig, Matthias C. and Rothenwoehrer, Christoph and Schally, Peter and Scherber, Christoph and Schulze, Waltraud X. and Socher, Stephanie A. and Steckel, Juliane and Steffan-Dewenter, Ingolf and T{\"u}rke, Manfred and Weiner, Christiane N. and Werner, Michael and Westphal, Catrin and Wolters, Volkmar and Wubet, Tesfaye and Gockel, Sonja and Gorke, Martin and Hemp, Andreas and Renner, Swen C. and Sch{\"o}ning, Ingo and Pfeiffer, Simone and K{\"o}nig-Ries, Birgitta and Buscot, Francois and Linsenmair, Karl Eduard and Schulze, Ernst-Detlef and Weisser, Wolfgang W. and Fischer, Markus}, title = {Interannual variation in land-use intensity enhances grassland multidiversity}, series = {Proceedings of the National Academy of Sciences of the United States of America}, volume = {111}, journal = {Proceedings of the National Academy of Sciences of the United States of America}, number = {1}, publisher = {National Acad. of Sciences}, address = {Washington}, issn = {0027-8424}, doi = {10.1073/pnas.1312213111}, pages = {308 -- 313}, year = {2014}, abstract = {Although temporal heterogeneity is a well-accepted driver of biodiversity, effects of interannual variation in land-use intensity (LUI) have not been addressed yet. Additionally, responses to land use can differ greatly among different organisms; therefore, overall effects of land-use on total local biodiversity are hardly known. To test for effects of LUI (quantified as the combined intensity of fertilization, grazing, and mowing) and interannual variation in LUI (SD in LUI across time), we introduce a unique measure of whole-ecosystem biodiversity, multidiversity. This synthesizes individual diversity measures across up to 49 taxonomic groups of plants, animals, fungi, and bacteria from 150 grasslands. Multidiversity declined with increasing LUI among grasslands, particularly for rarer species and aboveground organisms, whereas common species and belowground groups were less sensitive. However, a high level of interannual variation in LUI increased overall multidiversity at low LUI and was even more beneficial for rarer species because it slowed the rate at which the multidiversity of rare species declined with increasing LUI. In more intensively managed grasslands, the diversity of rarer species was, on average, 18\% of the maximum diversity across all grasslands when LUI was static over time but increased to 31\% of the maximum when LUI changed maximally over time. In addition to decreasing overall LUI, we suggest varying LUI across years as a complementary strategy to promote biodiversity conservation.}, language = {en} } @article{PenoneAllanSoliveresetal.2019, author = {Penone, Caterina and Allan, Eric and Soliveres, Santiago and Felipe-Lucia, Maria R. and Gossner, Martin M. and Seibold, Sebastian and Simons, Nadja K. and Schall, Peter and van der Plas, Fons and Manning, Peter and Manzanedo, Ruben D. and Boch, Steffen and Prati, Daniel and Ammer, Christian and Bauhus, Juergen and Buscot, Francois and Ehbrecht, Martin and Goldmann, Kezia and Jung, Kirsten and Mueller, Joerg and Mueller, Joerg C. and Pena, Rodica and Polle, Andrea and Renner, Swen C. and Ruess, Liliane and Schoenig, Ingo and Schrumpf, Marion and Solly, Emily F. and Tschapka, Marco and Weisser, Wolfgang W. and Wubet, Tesfaye and Fischer, Markus}, title = {Specialisation and diversity of multiple trophic groups are promoted by different forest features}, series = {Ecology letters}, volume = {22}, journal = {Ecology letters}, number = {1}, publisher = {Wiley}, address = {Hoboken}, issn = {1461-023X}, doi = {10.1111/ele.13182}, pages = {170 -- 180}, year = {2019}, abstract = {While forest management strongly influences biodiversity, it remains unclear how the structural and compositional changes caused by management affect different community dimensions (e.g. richness, specialisation, abundance or completeness) and how this differs between taxa. We assessed the effects of nine forest features (representing stand structure, heterogeneity and tree composition) on thirteen above- and belowground trophic groups of plants, animals, fungi and bacteria in 150 temperate forest plots differing in their management type. Canopy cover decreased light resources, which increased community specialisation but reduced overall diversity and abundance. Features increasing resource types and diversifying microhabitats (admixing of oaks and conifers) were important and mostly affected richness. Belowground groups responded differently to those aboveground and had weaker responses to most forest features. Our results show that we need to consider forest features rather than broad management types and highlight the importance of considering several groups and community dimensions to better inform conservation.}, language = {en} } @article{FischerAndersSaalfrank2022, author = {Fischer, Eric Wolfgang and Anders, Janet and Saalfrank, Peter}, title = {Cavity-altered thermal isomerization rates and dynamical resonant localization in vibro-polaritonic chemistry}, series = {The journal of chemical physics : bridges a gap between journals of physics and journals of chemistr}, volume = {156}, journal = {The journal of chemical physics : bridges a gap between journals of physics and journals of chemistr}, number = {15}, publisher = {American Institute of Physics}, address = {Melville, NY}, issn = {0021-9606}, doi = {10.1063/5.0076434}, pages = {16}, year = {2022}, abstract = {It has been experimentally demonstrated that reaction rates for molecules embedded in microfluidic optical cavities are altered when compared to rates observed under "ordinary" reaction conditions. However, precise mechanisms of how strong coupling of an optical cavity mode to molecular vibrations affects the reactivity and how resonance behavior emerges are still under dispute. In the present work, we approach these mechanistic issues from the perspective of a thermal model reaction, the inversion of ammonia along the umbrella mode, in the presence of a single-cavity mode of varying frequency and coupling strength. A topological analysis of the related cavity Born-Oppenheimer potential energy surface in combination with quantum mechanical and transition state theory rate calculations reveals two quantum effects, leading to decelerated reaction rates in qualitative agreement with experiments: the stiffening of quantized modes perpendicular to the reaction path at the transition state, which reduces the number of thermally accessible reaction channels, and the broadening of the barrier region, which attenuates tunneling. We find these two effects to be very robust in a fluctuating environment, causing statistical variations of potential parameters, such as the barrier height. Furthermore, by solving the time-dependent Schrodinger equation in the vibrational strong coupling regime, we identify a resonance behavior, in qualitative agreement with experimental and earlier theoretical work. The latter manifests as reduced reaction probability when the cavity frequency omega(c) is tuned resonant to a molecular reactant frequency. We find this effect to be based on the dynamical localization of the vibro-polaritonic wavepacket in the reactant well.}, language = {en} } @article{SoliveresMaestreUlrichetal.2015, author = {Soliveres, Santiago and Maestre, Fernando T. and Ulrich, Werner and Manning, Peter and Boch, Steffen and Bowker, Matthew A. and Prati, Daniel and Delgado-Baquerizo, Manuel and Quero, Jose L. and Sch{\"o}ning, Ingo and Gallardo, Antonio and Weisser, Wolfgang W. and M{\"u}ller, J{\"o}rg and Socher, Stephanie A. and Garcia-Gomez, Miguel and Ochoa, Victoria and Schulze, Ernst-Detlef and Fischer, Markus and Allan, Eric}, title = {Intransitive competition is widespread in plant communities and maintains their species richness}, series = {Ecology letters}, volume = {18}, journal = {Ecology letters}, number = {8}, publisher = {Wiley-Blackwell}, address = {Hoboken}, issn = {1461-023X}, doi = {10.1111/ele.12456}, pages = {790 -- 798}, year = {2015}, abstract = {Intransitive competition networks, those in which there is no single best competitor, may ensure species coexistence. However, their frequency and importance in maintaining diversity in real-world ecosystems remain unclear. We used two large data sets from drylands and agricultural grasslands to assess: (1) the generality of intransitive competition, (2) intransitivity-richness relationships and (3) effects of two major drivers of biodiversity loss (aridity and land-use intensification) on intransitivity and species richness. Intransitive competition occurred in >65\% of sites and was associated with higher species richness. Intransitivity increased with aridity, partly buffering its negative effects on diversity, but was decreased by intensive land use, enhancing its negative effects on diversity. These contrasting responses likely arise because intransitivity is promoted by temporal heterogeneity, which is enhanced by aridity but may decline with land-use intensity. We show that intransitivity is widespread in nature and increases diversity, but it can be lost with environmental homogenisation.}, language = {en} } @article{AllanManningAltetal.2015, author = {Allan, Eric and Manning, Pete and Alt, Fabian and Binkenstein, Julia and Blaser, Stefan and Bl{\"u}thgen, Nico and B{\"o}hm, Stefan and Grassein, Fabrice and H{\"o}lzel, Norbert and Klaus, Valentin H. and Kleinebecker, Till and Morris, E. Kathryn and Oelmann, Yvonne and Prati, Daniel and Renner, Swen C. and Rillig, Matthias C. and Schaefer, Martin and Schloter, Michael and Schmitt, Barbara and Sch{\"o}ning, Ingo and Schrumpf, Marion and Solly, Emily and Sorkau, Elisabeth and Steckel, Juliane and Steffen-Dewenter, Ingolf and Stempfhuber, Barbara and Tschapka, Marco and Weiner, Christiane N. and Weisser, Wolfgang W. and Werner, Michael and Westphal, Catrin and Wilcke, Wolfgang and Fischer, Markus}, title = {Land use intensification alters ecosystem multifunctionality via loss of biodiversity and changes to functional composition}, series = {Ecology letters}, volume = {18}, journal = {Ecology letters}, number = {8}, publisher = {Wiley-Blackwell}, address = {Hoboken}, issn = {1461-023X}, doi = {10.1111/ele.12469}, pages = {834 -- 843}, year = {2015}, abstract = {Global change, especially land-use intensification, affects human well-being by impacting the delivery of multiple ecosystem services (multifunctionality). However, whether biodiversity loss is a major component of global change effects on multifunctionality in real-world ecosystems, as in experimental ones, remains unclear. Therefore, we assessed biodiversity, functional composition and 14 ecosystem services on 150 agricultural grasslands differing in land-use intensity. We also introduce five multifunctionality measures in which ecosystem services were weighted according to realistic land-use objectives. We found that indirect land-use effects, i.e. those mediated by biodiversity loss and by changes to functional composition, were as strong as direct effects on average. Their strength varied with land-use objectives and regional context. Biodiversity loss explained indirect effects in a region of intermediate productivity and was most damaging when land-use objectives favoured supporting and cultural services. In contrast, functional composition shifts, towards fast-growing plant species, strongly increased provisioning services in more inherently unproductive grasslands.}, language = {en} } @article{HeinzeBochFischeretal.2011, author = {Heinze, Eric and Boch, Steffen and Fischer, Markus and Hessenm{\"o}ller, Dominik and Klenk, Bernd and M{\"u}ller, J{\"o}rg and Prati, Daniel and Schulze, Ernst-Detlef and Seele, Carolin and Socher, Stephanie and Halle, Stefan}, title = {Habitat use of large ungulates in northeastern Germany in relation to forest management}, series = {Forest ecology and management}, volume = {261}, journal = {Forest ecology and management}, number = {2}, publisher = {Elsevier}, address = {Amsterdam}, issn = {0378-1127}, doi = {10.1016/j.foreco.2010.10.022}, pages = {288 -- 296}, year = {2011}, abstract = {Estimating large herbivore density has been a major area of research in recent decades. Previous studies monitoring ungulate density, however, focused mostly on determining animal abundance, and did not interpret animal distribution in relation to habitat parameters. We surveyed large ungulates in the Biodiversity Exploratory Schorfheide-Chorin using faecal pellet group counts. This allowed us to explore the link between relative ungulate abundance, habitat use, and browsing damage on trees in a region with several types of forest, including unharvested and age-class beech forests, as well as age-class pine forests. Our results demonstrate that roe deer and fallow deer relative abundance is negatively correlated with large tree cover, and positively correlated with the cover of small shrubs (Rubus spec., Vaccinium spec.), and winter food supply. Habitat use of roe deer and fallow deer, as estimated by counting faecal pellet groups, revealed a preference for mature pine forests, and avoidance of deciduous forests. This differential habitat use is explained by different distributions of high quality food resources during winter. The response of deer to understory cover differed between roe deer and fallow deer at high cover percentages. The amount of browsing damage we observed on coniferous trees was not consistent with the relative deer abundance. Browsing damage was consistently higher on most deciduous trees, except for beech saplings which sustained less damage when roe deer density was low. Because roe deer is a highly selective feeder, it was reported to affect tree diversity by feeding only on trees with high nutritional value. Consequently, we propose that managing the number of all deer species by hunting is necessary to allow successful forest regeneration. Such an adjustment to deer numbers would need to account for both current tree diversity and alternative food resources. Our findings may be applicable to other forest landscapes in northeastern Germany including mature pine stands and differently harvested deciduous forests.}, language = {en} } @article{SoliveresvanderPlasManningetal.2016, author = {Soliveres, Santiago and van der Plas, Fons and Manning, Peter and Prati, Daniel and Gossner, Martin M. and Renner, Swen C. and Alt, Fabian and Arndt, Hartmut and Baumgartner, Vanessa and Binkenstein, Julia and Birkhofer, Klaus and Blaser, Stefan and Bl{\"u}thgen, Nico and Boch, Steffen and B{\"o}hm, Stefan and B{\"o}rschig, Carmen and Buscot, Francois and Diek{\"o}tter, Tim and Heinze, Johannes and H{\"o}lzel, Norbert and Jung, Kirsten and Klaus, Valentin H. and Kleinebecker, Till and Klemmer, Sandra and Krauss, Jochen and Lange, Markus and Morris, E. Kathryn and M{\"u}ller, J{\"o}rg and Oelmann, Yvonne and Overmann, J{\"o}rg and Pasalic, Esther and Rillig, Matthias C. and Schaefer, H. Martin and Schloter, Michael and Schmitt, Barbara and Sch{\"o}ning, Ingo and Schrumpf, Marion and Sikorski, Johannes and Socher, Stephanie A. and Solly, Emily F. and Sonnemann, Ilja and Sorkau, Elisabeth and Steckel, Juliane and Steffan-Dewenter, Ingolf and Stempfhuber, Barbara and Tschapka, Marco and T{\"u}rke, Manfred and Venter, Paul C. and Weiner, Christiane N. and Weisser, Wolfgang W. and Werner, Michael and Westphal, Catrin and Wilcke, Wolfgang and Wolters, Volkmar and Wubet, Tesfaye and Wurst, Susanne and Fischer, Markus and Allan, Eric}, title = {Biodiversity at multiple trophic levels is needed for ecosystem multifunctionality}, series = {Nature : the international weekly journal of science}, volume = {536}, journal = {Nature : the international weekly journal of science}, publisher = {Nature Publ. Group}, address = {London}, issn = {0028-0836}, doi = {10.1038/nature19092}, pages = {456 -- +}, year = {2016}, language = {en} } @article{FischerWertherBouaklineetal.2022, author = {Fischer, Eric Wolfgang and Werther, Michael and Bouakline, Foudhil and Grossmann, Frank and Saalfrank, Peter}, title = {Non-Markovian vibrational relaxation dynamics at surfaces}, series = {The journal of chemical physics : bridges a gap between journals of physics and journals of chemistr}, volume = {156}, journal = {The journal of chemical physics : bridges a gap between journals of physics and journals of chemistr}, number = {21}, publisher = {AIP Publishing}, address = {Melville}, issn = {0021-9606}, doi = {10.1063/5.0092836}, pages = {16}, year = {2022}, abstract = {Vibrational dynamics of adsorbates near surfaces plays both an important role for applied surface science and as a model lab for studying fundamental problems of open quantum systems. We employ a previously developed model for the relaxation of a D-Si-Si bending mode at a D:Si(100)-(2 x 1) surface, induced by a "bath " of more than 2000 phonon modes [Lorenz and P. Saalfrank, Chem. Phys. 482, 69 (2017)], to extend previous work along various directions. First, we use a Hierarchical Effective Mode (HEM) model [Fischer et al., J. Chem. Phys. 153, 064704 (2020)] to study relaxation of higher excited vibrational states than hitherto done by solving a high-dimensional system-bath time-dependent Schrodinger equation (TDSE). In the HEM approach, (many) real bath modes are replaced by (much less) effective bath modes. Accordingly, we are able to examine scaling laws for vibrational relaxation lifetimes for a realistic surface science problem. Second, we compare the performance of the multilayer multiconfigurational time-dependent Hartree (ML-MCTDH) approach with that of the recently developed coherent-state-based multi-Davydov-D2 Ansatz [Zhou et al., J. Chem. Phys. 143, 014113 (2015)]. Both approaches work well, with some computational advantages for the latter in the presented context. Third, we apply open-system density matrix theory in comparison with basically "exact " solutions of the multi-mode TDSEs. Specifically, we use an open-system Liouville-von Neumann (LvN) equation treating vibration-phonon coupling as Markovian dissipation in Lindblad form to quantify effects beyond the Born-Markov approximation. Published under an exclusive license by AIP Publishing.}, language = {en} } @article{FischerWertherBouaklineetal.2020, author = {Fischer, Eric W. and Werther, Michael and Bouakline, Foudhil and Saalfrank, Peter}, title = {A hierarchical effective mode approach to phonon-driven multilevel vibrational relaxation dynamics at surfaces}, series = {The journal of chemical physics : bridges a gap between journals of physics and journals of chemistry}, volume = {153}, journal = {The journal of chemical physics : bridges a gap between journals of physics and journals of chemistry}, number = {6}, publisher = {American Institute of Physics}, address = {Melville}, issn = {0021-9606}, doi = {10.1063/5.0017716}, pages = {15}, year = {2020}, abstract = {We discuss an efficient Hierarchical Effective Mode (HEM) representation of a high-dimensional harmonic oscillator bath, which describes phonon-driven vibrational relaxation of an adsorbate-surface system, namely, deuterium adsorbed on Si(100). Starting from the original Hamiltonian of the adsorbate-surface system, the HEM representation is constructed via iterative orthogonal transformations, which are efficiently implemented with Householder matrices. The detailed description of the HEM representation and its construction are given in the second quantization representation. The hierarchical nature of this representation allows access to the exact quantum dynamics of the adsorbate-surface system over finite time intervals, controllable via the truncation order of the hierarchy. To study the convergence properties of the effective mode representation, we solve the time-dependent Schrodinger equation of the truncated system-bath HEM Hamiltonian, with the help of the multilayer extension of the Multiconfigurational Time-Dependent Hartree (ML-MCTDH) method. The results of the HEM representation are compared with those obtained with a quantum-mechanical tier-model. The convergence of the HEM representation with respect to the truncation order of the hierarchy is discussed for different initial conditions of the adsorbate-surface system. The combination of the HEM representation with the ML-MCTDH method provides information on the time evolution of the system (adsorbate) and multiple effective modes of the bath (surface). This permits insight into mechanisms of vibration-phonon coupling of the adsorbate-surface system, as well as inter-mode couplings of the effective bath.}, language = {en} } @phdthesis{Fischer2022, author = {Fischer, Eric Wolfgang}, title = {Quantum vibrational dynamics in complex environments: from vibrational strong coupling in molecular cavity QED to phonon-induced adsorbate relaxation}, doi = {10.25932/publishup-56721}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-567214}, school = {Universit{\"a}t Potsdam}, pages = {viii, 171}, year = {2022}, abstract = {Molecules are often naturally embedded in a complex environment. As a consequence, characteristic properties of a molecular subsystem can be substantially altered or new properties emerge due to interactions between molecular and environmental degrees of freedom. The present thesis is concerned with the numerical study of quantum dynamical and stationary properties of molecular vibrational systems embedded in selected complex environments. In the first part, we discuss "strong-coupling" model scenarios for molecular vibrations interacting with few quantized electromagnetic field modes of an optical Fabry-P{\´e}rot cavity. We thoroughly elaborate on properties of emerging "vibrational polariton" light-matter hybrid states and examine the relevance of the dipole self-energy. Further, we identify cavity-induced quantum effects and an emergent dynamical resonance in a cavity-altered thermal isomerization model, which lead to significant suppression of thermal reaction rates. Moreover, for a single rovibrating diatomic molecule in an optical cavity, we observe non-adiabatic signatures in dynamics due to "vibro-polaritonic conical intersections" and discuss spectroscopically accessible "rovibro-polaritonic" light-matter hybrid states. In the second part, we study a weakly coupled but numerically challenging quantum mechanical adsorbate-surface model system comprising a few thousand surface modes. We introduce an efficient construction scheme for a "hierarchical effective mode" approach to reduce the number of surface modes in a controlled manner. In combination with the multilayer multiconfigurational time-dependent Hartree (ML-MCTDH) method, we examine the vibrational adsorbate relaxation dynamics from different excited adsorbate states by solving the full non-Markovian system-bath dynamics for the characteristic relaxation time scale. We examine half-lifetime scaling laws from vibrational populations and identify prominent non-Markovian signatures as deviations from Markovian reduced system density matrix theory in vibrational coherences, system-bath entanglement and energy transfer dynamics. In the final part of this thesis, we approach the dynamics and spectroscopy of vibronic model systems at finite temperature by formulating the ML-MCTDH method in the non-stochastic framework of thermofield dynamics. We apply our method to thermally-altered ultrafast internal conversion in the well-known vibronic coupling model of pyrazine. Numerically beneficial representations of multilayer wave functions ("ML-trees") are identified for different temperature regimes, which allow us to access thermal effects on both electronic and vibrational dynamics as well as spectroscopic properties for several pyrazine models.}, language = {en} } @article{FischerSaalfrank2022, author = {Fischer, Eric W. and Saalfrank, Peter}, title = {Cavity-induced non-adiabatic dynamics and spectroscopy of molecular rovibrational polaritons studied by multi-mode quantum models}, series = {The journal of chemical physics : bridges a gap between journals of physics and journals of chemistr}, volume = {157}, journal = {The journal of chemical physics : bridges a gap between journals of physics and journals of chemistr}, number = {3}, publisher = {American Institute of Physics}, address = {Melville}, issn = {0021-9606}, doi = {10.1063/5.0098006}, pages = {13}, year = {2022}, abstract = {We study theoretically the quantum dynamics and spectroscopy of rovibrational polaritons formed in a model system composed of a single rovibrating diatomic molecule, which interacts with two degenerate, orthogonally polarized modes of an optical Fabry-Perot cavity. We employ an effective rovibrational Pauli-Fierz Hamiltonian in length gauge representation and identify three-state vibro-polaritonic conical intersections (VPCIs) between singly excited vibro-polaritonic states in a two-dimensional angular coordinate branching space. The lower and upper vibrational polaritons are of mixed light-matter hybrid character, whereas the intermediate state is purely photonic in nature. The VPCIs provide effective population transfer channels between singly excited vibrational polaritons, which manifest in rich interference patterns in rotational densities. Spectroscopically, three bright singly excited states are identified when an external infrared laser field couples to both a molecular and a cavity mode. The non-trivial VPCI topology manifests as pronounced multi-peak progression in the spectral region of the upper vibrational polariton, which is traced back to the emergence of rovibro-polaritonic light-matter hybrid states. Experimentally, ubiquitous spontaneous emission from cavity modes induces a dissipative reduction of intensity and peak broadening, which mainly influences the purely photonic intermediate state peak as well as the rovibro-polaritonic progression. Published under an exclusive license by AIP Publishing.}, language = {en} } @article{FischerSaalfrank2021, author = {Fischer, Eric W. and Saalfrank, Peter}, title = {Ground state properties and infrared spectra of anharmonic vibrational polaritons of small molecules in cavities}, series = {The journal of chemical physics : bridges a gap between journals of physics and journals of chemistr}, volume = {154}, journal = {The journal of chemical physics : bridges a gap between journals of physics and journals of chemistr}, number = {10}, publisher = {American Institute of Physics}, address = {Melville}, issn = {0021-9606}, doi = {10.1063/5.0040853}, pages = {18}, year = {2021}, abstract = {Recent experiments and theory suggest that ground state properties and reactivity of molecules can be modified when placed inside a nanoscale cavity, giving rise to strong coupling between vibrational modes and the quantized cavity field. This is commonly thought to be caused either by a cavity-distorted Born-Oppenheimer ground state potential or by the formation of light-matter hybrid states, vibrational polaritons. Here, we systematically study the effect of a cavity on ground state properties and infrared spectra of single molecules, considering vibration-cavity coupling strengths from zero up to the vibrational ultrastrong coupling regime. Using single-mode models for Li-H and O-H stretch modes and for the NH3 inversion mode, respectively, a single cavity mode in resonance with vibrational transitions is coupled to position-dependent molecular dipole functions. We address the influence of the cavity mode on polariton ground state energies, equilibrium bond lengths, dissociation energies, activation energies for isomerization, and on vibro-polaritonic infrared spectra. In agreement with earlier work, we observe all mentioned properties being strongly affected by the cavity, but only if the dipole self-energy contribution in the interaction Hamiltonian is neglected. When this term is included, these properties do not depend significantly on the coupling anymore. Vibro-polaritonic infrared spectra, in contrast, are always affected by the cavity mode due to the formation of excited vibrational polaritons. It is argued that the quantized nature of vibrational polaritons is key to not only interpreting molecular spectra in cavities but also understanding the experimentally observed modification of molecular reactivity in cavities.}, language = {en} } @article{FischerSaalfrank2021, author = {Fischer, Eric W. and Saalfrank, Peter}, title = {A thermofield-based multilayer multiconfigurational time-dependent Hartree approach to non-adiabatic quantum dynamics at finite temperature}, series = {The journal of chemical physics : bridges a gap between journals of physics and journals of chemistry}, volume = {155}, journal = {The journal of chemical physics : bridges a gap between journals of physics and journals of chemistry}, number = {13}, publisher = {American Institute of Physics}, address = {Melville}, issn = {0021-9606}, doi = {10.1063/5.0064013}, pages = {15}, year = {2021}, abstract = {We introduce a thermofield-based formulation of the multilayer multiconfigurational time-dependent Hartree (MCTDH) method to study finite temperature effects on non-adiabatic quantum dynamics from a non-stochastic, wave function perspective. Our approach is based on the formal equivalence of bosonic many-body theory at zero temperature with a doubled number of degrees of freedom and the thermal quasi-particle representation of bosonic thermofield dynamics (TFD). This equivalence allows for a transfer of bosonic many-body MCTDH as introduced by Wang and Thoss to the finite temperature framework of thermal quasi-particle TFD. As an application, we study temperature effects on the ultrafast internal conversion dynamics in pyrazine. We show that finite temperature effects can be efficiently accounted for in the construction of multilayer expansions of thermofield states in the framework presented herein. Furthermore, we find our results to agree well with existing studies on the pyrazine model based on the pMCTDH method.}, language = {en} } @article{GossnerLewinsohnKahletal.2016, author = {Gossner, Martin M. and Lewinsohn, Thomas M. and Kahl, Tiemo and Grassein, Fabrice and Boch, Steffen and Prati, Daniel and Birkhofer, Klaus and Renner, Swen C. and Sikorski, Johannes and Wubet, Tesfaye and Arndt, Hartmut and Baumgartner, Vanessa and Blaser, Stefan and Bl{\"u}thgen, Nico and B{\"o}rschig, Carmen and Buscot, Francois and Diek{\"o}tter, Tim and Jorge, Leonardo Re and Jung, Kirsten and Keyel, Alexander C. and Klein, Alexandra-Maria and Klemmer, Sandra and Krauss, Jochen and Lange, Markus and M{\"u}ller, J{\"o}rg and Overmann, J{\"o}rg and Pasalic, Esther and Penone, Caterina and Perovic, David J. and Purschke, Oliver and Schall, Peter and Socher, Stephanie A. and Sonnemann, Ilja and Tschapka, Marco and Tscharntke, Teja and T{\"u}rke, Manfred and Venter, Paul Christiaan and Weiner, Christiane N. and Werner, Michael and Wolters, Volkmar and Wurst, Susanne and Westphal, Catrin and Fischer, Markus and Weisser, Wolfgang W. and Allan, Eric}, title = {Land-use intensification causes multitrophic homogenization of grassland communities}, series = {Nature : the international weekly journal of science}, volume = {540}, journal = {Nature : the international weekly journal of science}, publisher = {Nature Publ. Group}, address = {London}, issn = {0028-0836}, doi = {10.1038/nature20575}, pages = {266 -- +}, year = {2016}, abstract = {Land-use intensification is a major driver of biodiversity loss(1,2). Alongside reductions in local species diversity, biotic homogenization at larger spatial scales is of great concern for conservation. Biotic homogenization means a decrease in beta-diversity (the compositional dissimilarity between sites). Most studies have investigated losses in local (alpha)-diversity(1,3) and neglected biodiversity loss at larger spatial scales. Studies addressing beta-diversity have focused on single or a few organism groups (for example, ref. 4), and it is thus unknown whether land-use intensification homogenizes communities at different trophic levels, above-and belowground. Here we show that even moderate increases in local land-use intensity (LUI) cause biotic homogenization across microbial, plant and animal groups, both above- and belowground, and that this is largely independent of changes in alpha-diversity. We analysed a unique grassland biodiversity dataset, with abundances of more than 4,000 species belonging to 12 trophic groups. LUI, and, in particular, high mowing intensity, had consistent effects on beta-diversity across groups, causing a homogenization of soil microbial, fungal pathogen, plant and arthropod communities. These effects were nonlinear and the strongest declines in beta-diversity occurred in the transition from extensively managed to intermediate intensity grassland. LUI tended to reduce local alpha-diversity in aboveground groups, whereas the alpha-diversity increased in belowground groups. Correlations between the alpha-diversity of different groups, particularly between plants and their consumers, became weaker at high LUI. This suggests a loss of specialist species and is further evidence for biotic homogenization. The consistently negative effects of LUI on landscape-scale biodiversity underscore the high value of extensively managed grasslands for conserving multitrophic biodiversity and ecosystem service provision. Indeed, biotic homogenization rather than local diversity loss could prove to be the most substantial consequence of land-use intensification.}, language = {en} } @article{SoliveresManningPratietal.2016, author = {Soliveres, Santiago and Manning, Peter and Prati, Daniel and Gossner, Martin M. and Alt, Fabian and Arndt, Hartmut and Baumgartner, Vanessa and Binkenstein, Julia and Birkhofer, Klaus and Blaser, Stefan and Bluethgen, Nico and Boch, Steffen and Boehm, Stefan and Boerschig, Carmen and Buscot, Francois and Diekoetter, Tim and Heinze, Johannes and Hoelzel, Norbert and Jung, Kirsten and Klaus, Valentin H. and Klein, Alexandra-Maria and Kleinebecker, Till and Klemmer, Sandra and Krauss, Jochen and Lange, Markus and Morris, E. Kathryn and Mueller, Joerg and Oelmann, Yvonne and Overmann, J{\"o}rg and Pasalic, Esther and Renner, Swen C. and Rillig, Matthias C. and Schaefer, H. Martin and Schloter, Michael and Schmitt, Barbara and Schoening, Ingo and Schrumpf, Marion and Sikorski, Johannes and Socher, Stephanie A. and Solly, Emily F. and Sonnemann, Ilja and Sorkau, Elisabeth and Steckel, Juliane and Steffan-Dewenter, Ingolf and Stempfhuber, Barbara and Tschapka, Marco and Tuerke, Manfred and Venter, Paul and Weiner, Christiane N. and Weisser, Wolfgang W. and Werner, Michael and Westphal, Catrin and Wilcke, Wolfgang and Wolters, Volkmar and Wubet, Tesfaye and Wurst, Susanne and Fischer, Markus and Allan, Eric}, title = {Locally rare species influence grassland ecosystem multifunctionality}, series = {Philosophical transactions of the Royal Society of London : B, Biological sciences}, volume = {371}, journal = {Philosophical transactions of the Royal Society of London : B, Biological sciences}, publisher = {Royal Society}, address = {London}, issn = {0962-8436}, doi = {10.1098/rstb.2015.0269}, pages = {3175 -- 3185}, year = {2016}, abstract = {Species diversity promotes the delivery of multiple ecosystem functions (multifunctionality). However, the relative functional importance of rare and common species in driving the biodiversity multifunctionality relationship remains unknown. We studied the relationship between the diversity of rare and common species (according to their local abundances and across nine different trophic groups), and multifunctionality indices derived from 14 ecosystem functions on 150 grasslands across a land use intensity (LUI) gradient. The diversity of above- and below-ground rare species had opposite effects, with rare above-ground species being associated with high levels of multifunctionality, probably because their effects on different functions did not trade off against each other. Conversely, common species were only related to average, not high, levels of multifunctionality, and their functional effects declined with LUI. Apart from the community level effects of diversity, we found significant positive associations between the abundance of individual species and multifunctionality in 6\% of the species tested. Species specific functional effects were best predicted by their response to LUI: species that declined in abundance with land use intensification were those associated with higher levels of multifunctionality. Our results highlight the importance of rare species for ecosystem multifunctionality and help guiding future conservation priorities.}, language = {en} } @article{AllanWeisserFischeretal.2013, author = {Allan, Eric and Weisser, Wolfgang W. and Fischer, Markus and Schulze, Ernst-Detlef and Weigelt, Alexandra and Roscher, Christiane and Baade, Jussi and Barnard, Romain L. and Bessler, Holger and Buchmann, Nina and Ebeling, Anne and Eisenhauer, Nico and Engels, Christof and Fergus, Alexander J. F. and Gleixner, Gerd and Gubsch, Marlen and Halle, Stefan and Klein, Alexandra-Maria and Kertscher, Ilona and Kuu, Annely and Lange, Markus and Le Roux, Xavier and Meyer, Sebastian T. and Migunova, Varvara D. and Milcu, Alexandru and Niklaus, Pascal A. and Oelmann, Yvonne and Pasalic, Esther and Petermann, Jana S. and Poly, Franck and Rottstock, Tanja and Sabais, Alexander C. W. and Scherber, Christoph and Scherer-Lorenzen, Michael and Scheu, Stefan and Steinbeiss, Sibylle and Schwichtenberg, Guido and Temperton, Vicky and Tscharntke, Teja and Voigt, Winfried and Wilcke, Wolfgang and Wirth, Christian and Schmid, Bernhard}, title = {A comparison of the strength of biodiversity effects across multiple functions}, series = {Oecologia}, volume = {173}, journal = {Oecologia}, number = {1}, publisher = {Springer}, address = {New York}, issn = {0029-8549}, doi = {10.1007/s00442-012-2589-0}, pages = {223 -- 237}, year = {2013}, abstract = {In order to predict which ecosystem functions are most at risk from biodiversity loss, meta-analyses have generalised results from biodiversity experiments over different sites and ecosystem types. In contrast, comparing the strength of biodiversity effects across a large number of ecosystem processes measured in a single experiment permits more direct comparisons. Here, we present an analysis of 418 separate measures of 38 ecosystem processes. Overall, 45 \% of processes were significantly affected by plant species richness, suggesting that, while diversity affects a large number of processes not all respond to biodiversity. We therefore compared the strength of plant diversity effects between different categories of ecosystem processes, grouping processes according to the year of measurement, their biogeochemical cycle, trophic level and compartment (above- or belowground) and according to whether they were measures of biodiversity or other ecosystem processes, biotic or abiotic and static or dynamic. Overall, and for several individual processes, we found that biodiversity effects became stronger over time. Measures of the carbon cycle were also affected more strongly by plant species richness than were the measures associated with the nitrogen cycle. Further, we found greater plant species richness effects on measures of biodiversity than on other processes. The differential effects of plant diversity on the various types of ecosystem processes indicate that future research and political effort should shift from a general debate about whether biodiversity loss impairs ecosystem functions to focussing on the specific functions of interest and ways to preserve them individually or in combination.}, language = {en} } @article{ManningGossnerBossdorfetal.2015, author = {Manning, Pete and Gossner, Martin M. and Bossdorf, Oliver and Allan, Eric and Zhang, Yuan-Ye and Prati, Daniel and Bl{\"u}thgen, Nico and Boch, Steffen and B{\"o}hm, Stefan and B{\"o}rschig, Carmen and H{\"o}lzel, Norbert and Jung, Kirsten and Klaus, Valentin H. and Klein, Alexandra-Maria and Kleinebecker, Till and Krauss, Jochen and Lange, Markus and M{\"u}ller, J{\"o}rg and Pasalic, Esther and Socher, Stephanie A. and Tschapka, Marco and T{\"u}rke, Manfred and Weiner, Christiane and Werner, Michael and Gockel, Sonja and Hemp, Andreas and Renner, Swen C. and Wells, Konstans and Buscot, Francois and Kalko, Elisabeth K. V. and Linsenmair, Karl Eduard and Weisser, Wolfgang W. and Fischer, Markus}, title = {Grassland management intensification weakens the associations among the diversities of multiple plant and animal taxa}, series = {Ecology : a publication of the Ecological Society of America}, volume = {96}, journal = {Ecology : a publication of the Ecological Society of America}, number = {6}, publisher = {Wiley}, address = {Washington}, issn = {0012-9658}, doi = {10.1890/14-1307.1}, pages = {1492 -- 1501}, year = {2015}, abstract = {Land-use intensification is a key driver of biodiversity change. However, little is known about how it alters relationships between the diversities of different taxonomic groups, which are often correlated due to shared environmental drivers and trophic interactions. Using data from 150 grassland sites, we examined how land-use intensification (increased fertilization, higher livestock densities, and increased mowing frequency) altered correlations between the species richness of 15 plant, invertebrate, and vertebrate taxa. We found that 54\% of pairwise correlations between taxonomic groups were significant and positive among all grasslands, while only one was negative. Higher land-use intensity substantially weakened these correlations(35\% decrease in rand 43\% fewer significant pairwise correlations at high intensity), a pattern which may emerge as a result of biodiversity declines and the breakdown of specialized relationships in these conditions. Nevertheless, some groups (Coleoptera, Heteroptera, Hymenoptera and Orthoptera) were consistently correlated with multidiversity, an aggregate measure of total biodiversity comprised of the standardized diversities of multiple taxa, at both high and lowland-use intensity. The form of intensification was also important; increased fertilization and mowing frequency typically weakened plant-plant and plant-primary consumer correlations, whereas grazing intensification did not. This may reflect decreased habitat heterogeneity under mowing and fertilization and increased habitat heterogeneity under grazing. While these results urge caution in using certain taxonomic groups to monitor impacts of agricultural management on biodiversity, they also suggest that the diversities of some groups are reasonably robust indicators of total biodiversity across a range of conditions.}, language = {en} } @article{ScherberEisenhauerWeisseretal.2010, author = {Scherber, Christoph and Eisenhauer, Nico and Weisser, Wolfgang W. and Schmid, Bernhard and Voigt, Winfried and Fischer, Markus and Schukze, Ernst-Detlef and Roscher, Christiane and Weigelt, Alexandra and Allan, Eric and Beßler, Holger and Bonkowski, Michael and Buchmann, Nina and Buscot, Fran{\c{c}}ois and Clement, Lars W. and Ebeling, Anne and Engels, Christof and Halle, Stefan and Kertscher, Ilona and Klein, Alexandra-Maria and Koller, Robert and K{\"o}nig, Stephan and Kowalski, Esther and Kummer, Volker and Kuu, Annely and Lange, Markus and Lauterbach, Dirk}, title = {Bottom-up effects of plant diversity on multitrophic interactions in a biodiversity experiment}, issn = {0028-0836}, year = {2010}, language = {en} } @misc{ZhouFischerTuncaetal.2020, author = {Zhou, Lin and Fischer, Eric and Tunca, Can and Brahms, Clemens Markus and Ersoy, Cem and Granacher, Urs and Arnrich, Bert}, title = {How We Found Our IMU}, series = {Postprints der Universit{\"a}t Potsdam : Reihe der Digital Engineering Fakult{\"a}t}, journal = {Postprints der Universit{\"a}t Potsdam : Reihe der Digital Engineering Fakult{\"a}t}, number = {2}, doi = {10.25932/publishup-48162}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-481628}, pages = {31}, year = {2020}, abstract = {Inertial measurement units (IMUs) are commonly used for localization or movement tracking in pervasive healthcare-related studies, and gait analysis is one of the most often studied topics using IMUs. The increasing variety of commercially available IMU devices offers convenience by combining the sensor modalities and simplifies the data collection procedures. However, selecting the most suitable IMU device for a certain use case is increasingly challenging. In this study, guidelines for IMU selection are proposed. In particular, seven IMUs were compared in terms of their specifications, data collection procedures, and raw data quality. Data collected from the IMUs were then analyzed by a gait analysis algorithm. The difference in accuracy of the calculated gait parameters between the IMUs could be used to retrace the issues in raw data, such as acceleration range or sensor calibration. Based on our algorithm, we were able to identify the best-suited IMUs for our needs. This study provides an overview of how to select the IMUs based on the area of study with concrete examples, and gives insights into the features of seven commercial IMUs using real data.}, language = {en} } @article{ZhouFischerTuncaetal.2020, author = {Zhou, Lin and Fischer, Eric and Tunca, Can and Brahms, Clemens Markus and Ersoy, Cem and Granacher, Urs and Arnrich, Bert}, title = {How We Found Our IMU}, series = {Sensors}, volume = {20}, journal = {Sensors}, number = {15}, publisher = {MDPI}, address = {Basel}, issn = {1424-8220}, doi = {10.3390/s20154090}, pages = {29}, year = {2020}, abstract = {Inertial measurement units (IMUs) are commonly used for localization or movement tracking in pervasive healthcare-related studies, and gait analysis is one of the most often studied topics using IMUs. The increasing variety of commercially available IMU devices offers convenience by combining the sensor modalities and simplifies the data collection procedures. However, selecting the most suitable IMU device for a certain use case is increasingly challenging. In this study, guidelines for IMU selection are proposed. In particular, seven IMUs were compared in terms of their specifications, data collection procedures, and raw data quality. Data collected from the IMUs were then analyzed by a gait analysis algorithm. The difference in accuracy of the calculated gait parameters between the IMUs could be used to retrace the issues in raw data, such as acceleration range or sensor calibration. Based on our algorithm, we were able to identify the best-suited IMUs for our needs. This study provides an overview of how to select the IMUs based on the area of study with concrete examples, and gives insights into the features of seven commercial IMUs using real data.}, language = {en} }