B. Baumeier

发表

Development and Testing of an All-Atom Force Field for Diketopyrrolopyrrole Polymers with Conjugated Substituents

V. Sundaram, A. Lyulin, B. Baumeier, 2020, The journal of physical chemistry. B.

Stochastic modeling of molecular charge transport networks

V. Schmidt, D. Andrienko, B. Baumeier, 2012 .

A Kernel-based Machine Learning Approach to Computing Quasiparticle Energies within Many-Body Green's Functions Theory

B. Baumeier, Gianluca Tirimb'o, Onur cCaylak, 2020, 2012.01787.

Toward Quantitative Structure-Property Relationships for Charge Transfer Rates of Polycyclic Aromatic Hydrocarbons.

Jean-Loup Faulon, Milind Misra, Denis Andrienko, 2011, Journal of chemical theory and computation.

Insights into the Kinetics of Supramolecular Comonomer Incorporation in Water

E. W. Meijer, René P. M. Lafleur, Pranav Madhikar, 2019, Macromolecules.

Excited-state electronic structure of molecules using many-body Green's functions: Quasiparticles and electron-hole excitations with VOTCA-XTP.

N. Renaud, Christoph Junghans, V. Sundaram, 2020, The Journal of chemical physics.

Electronic Excitations in Complex Molecular Environments: Many-Body Green’s Functions Theory in VOTCA-XTP

Christoph Junghans, Pranav Madhikar, B. Baumeier, 2018, Journal of chemical theory and computation.

Electronic Excitations in Complex Molecular Environments: Many-Body Green’s Functions Theory in VOTCA-XTP

Christoph Junghans, Pranav Madhikar, B. Baumeier, 2018, Journal of chemical theory and computation.

Coarse-grained modeling of cell division in 3D: influence of density, medium viscosity, and inter-membrane friction on cell growth and nearest neighbor distribution

M. Karttunen, Pranav Madhikar, B. Baumeier, 2020, Soft Materials.

Quantitative predictions of photoelectron spectra in amorphous molecular solids from multiscale quasiparticle embedding

R. Coehoorn, T. Neumann, B. Baumeier, 2019, Physical Review B.

Excited-State Geometry Optimization of Small Molecules with Many-Body Green’s Functions Theory

B. Baumeier, O. Çaylak, 2020, Journal of chemical theory and computation.

Excited-state electronic structure of molecules using many-body Green's functions: Quasiparticles and electron-hole excitations with VOTCA-XTP.

N. Renaud, Christoph Junghans, V. Sundaram, 2019, The Journal of chemical physics.

Development and Testing of an All-Atom Force Field for Diketopyrrolopyrrole Polymers with Conjugated Substituents

V. Sundaram, A. Lyulin, B. Baumeier, 2020, The journal of physical chemistry. B.

Backbone Chemical Composition and Monomer Sequence Effects on Phenylene Polymer Persistence Lengths

K. Kremer, B. Baumeier, N. C. Forero-Martinez, 2019, Macromolecules.

Jamming and force distribution in growing epithelial tissue

M. Karttunen, Pranav Madhikar, B. Baumeier, 2020, Physical Review Research.

Two Channels of Charge Generation in Perylene Monoimide Solid‐State Dye‐Sensitized Solar Cells

Chen Li, K. Müllen, D. Andrienko, 2014 .

Observing Charge Dynamics in Surface Reactions by Time-Resolved Stark Effects

D. Andrienko, F. Laquai, Ingmar Bruder, 2013 .

Glassy dynamics from generalized mode-coupling theory: existence and uniqueness of solutions for hierarchically coupled integro-differential equations

B. Baumeier, L. Janssen, O. Çaylak, 2020, Journal of Statistical Mechanics: Theory and Experiment.

Effect of Solvent Removal Rate and Annealing on the Interface Properties in a Blend of a Diketopyrrolopyrrole-Based Polymer with Fullerene

V. Sundaram, A. Lyulin, B. Baumeier, 2022, The journal of physical chemistry. B.

Machine Learning of Quasiparticle Energies in Molecules and Clusters

B. Baumeier, O. Çaylak, 2021, Journal of chemical theory and computation.

Efficient Simulation of Markov Chains Using Segmentation

Dirk P. Kroese, T. Brereton, D. Andrienko, 2013, Methodology and Computing in Applied Probability.

Ultrafast Formation of the Charge-transfer State of Prodan Reveals Unique Aspects of the Chromophore Environment.

Han Yan, B. Baumeier, L. Gundlach, 2019, The journal of physical chemistry. B.

Multiscale simulations of singlet and triplet exciton dynamics in energetically disordered molecular systems based on many-body Green's functions theory

B. Baumeier, J. Wehner, 2020, New Journal of Physics.

Intermolecular Singlet and Triplet Exciton Transfer Integrals from Many-Body Green’s Functions Theory

B. Baumeier, J. Wehner, 2017, Journal of chemical theory and computation.

Design rules for charge-transport efficient host materials for phosphorescent organic light-emitting diodes.

Wolfgang Kowalsky, Denis Andrienko, Falk May, 2012, Journal of the American Chemical Society.

Ab initio modeling of excitons: from perfect crystals to biomaterials

B. Baumeier, G. Tirimbò, 2021, Advances in Physics: X.

Electronic structure of alkali-metal fluorides, oxides, and nitrides

P. Krüger, B. Baumeier, J. Pollmann, 2008 .

Impact of mesoscale order on open-circuit voltage in organic solar cells.

Karl Leo, Klaus Meerholz, Dirk Hertel, 2015, Nature materials.

Microscopic Simulations of Charge Transport in Disordered Organic Semiconductors

Alexander Lukyanov, James Kirkpatrick, Denis Andrienko, 2011, Journal of chemical theory and computation.

Mechanism study of the conductivity characteristics of cellulose electrical insulation influenced by moisture

B. Baumeier, Haoxiang Zhao, Daning Zhang, 2022, Journal of Applied Physics.

Atomic and electronic structure of BeO and the BeO(10 1̄ 0) surface: An ab initio investigation

P. Krüger, B. Baumeier, J. Pollmann, 2007 .

Structural, elastic, and electronic properties of SiC, BN, and BeO nanotubes

P. Krüger, B. Baumeier, J. Pollmann, 2007 .

A General Framework for Consistent Estimation of Charge Transport Properties via Random Walks in Random Environments

Volker Schmidt, Dirk P. Kroese, Christian Hirsch, 2014, Multiscale Model. Simul..

Challenges for in silico design of organic semiconductors

Denis Andrienko, Falk May, Christian Lennartz, 2012 .

Charge transport in columnar mesophases of carbazole macrocycles.

Denis Andrienko, Björn Baumeier, Thorsten Vehoff, 2010, The Journal of chemical physics.

Density-functional based determination of intermolecular charge transfer properties for large-scale morphologies.

James Kirkpatrick, Denis Andrienko, Björn Baumeier, 2010, Physical chemistry chemical physics : PCCP.

Electronic Excitations in Push-Pull Oligomers and Their Complexes with Fullerene from Many-Body Green's Functions Theory with Polarizable Embedding.

M. Rohlfing, D. Andrienko, B. Baumeier, 2014, Journal of chemical theory and computation.

Frenkel and Charge-Transfer Excitations in Donor-acceptor Complexes from Many-Body Green's Functions Theory.

Denis Andrienko, Björn Baumeier, Michael Rohlfing, 2012, Journal of chemical theory and computation.

Excited States of Dicyanovinyl-Substituted Oligothiophenes from Many-Body Green's Functions Theory.

Denis Andrienko, Yuchen Ma, Björn Baumeier, 2012, Journal of chemical theory and computation.

Getting excited: challenges in quantum-classical studies of excitons in polymeric systems.

Björn Baumeier, Mikko Karttunen, M. Karttunen, 2016, Physical chemistry chemical physics : PCCP.

Solvent effects on optical excitations of poly para phenylene ethynylene studied by QM/MM simulations based on many-body Green's functions theory

M. Karttunen, B. Baumeier, B. Bagheri, 2016, 1605.00457.

Improved general-purpose five-point model for water: TIP5P/2018.

M. Karttunen, B. Baumeier, Yuriy Khalak, 2018, The Journal of chemical physics.

Comparative study of microscopic charge dynamics in crystalline acceptor-substituted oligothiophenes.

Karl Leo, Moritz Riede, Denis Andrienko, 2012, Journal of the American Chemical Society.

Transmission of light through a thin metal film with periodically and randomly corrugated surfaces

Alexei A. Maradudin, Tamara A. Leskova, Björn Baumeier, 2006 .

Parametrization of Extended Gaussian Disorder Models from Microscopic Charge Transport Simulations.

V. Schmidt, D. Andrienko, B. Baumeier, 2014, Journal of chemical theory and computation.

Charge transport in organic crystals: role of disorder and topological connectivity.

Alessandro Troisi, Denis Andrienko, Björn Baumeier, 2010, Journal of the American Chemical Society.

Cloaking from surface plasmon polaritons by a circular array of point scatterers.

A. Maradudin, B. Baumeier, T. Leskova, 2009, Physical review letters.

The Goos-Hänchen effect for surface plasmon polaritons.

A. Maradudin, B. Baumeier, T. Leskova, 2011, Optics express.

Can lattice models predict the density of states of amorphous organic semiconductors?

Denis Andrienko, Falk May, Christian Lennartz, 2012, Physical review letters.

Evolutionary Approach to Constructing a Deep Feedforward Neural Network for Prediction of Electronic Coupling Elements in Molecular Materials

Anil Yaman, Onur Çaylak, Björn Baumeier, 2018, Journal of chemical theory and computation.

Wasserstein metric for improved quantum machine learning with adjacency matrix representations

O. Anatole von Lilienfeld, Onur Çaylak, Björn Baumeier, 2020, Mach. Learn. Sci. Technol..

Wasserstein metric for improved QML with adjacency matrix representations

O. A. V. Lilienfeld, B. Baumeier, Onur cCaylak, 2020, 2001.11005.

Efficient Simulation of Markov Chains Using Segmentation

Volker Schmidt, Dirk P. Kroese, Denis Andrienko, 2014 .

Efficient simulation of charge transport in deep-trap media

Volker Schmidt, Dirk P. Kroese, Tim J. Brereton, 2012, Proceedings Title: Proceedings of the 2012 Winter Simulation Conference (WSC).

Microscopic Simulations of Charge Transport in Disordered Organic Semiconductors

D. Andrienko, A. Lukyanov, B. Baumeier, 2011, Journal of chemical theory and computation.

Solvent effects on optical excitations of poly para phenylene ethynylene studied by QM/MM simulations based on many-body Green's functions theory

M. Karttunen, B. Baumeier, B. Bagheri, 2016, The European Physical Journal Special Topics.