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

por Wehner, Jens, Baumeier, Björn
Publicado 2017

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

por Çaylak, Onur, Baumeier, Björn
Publicado 2021

Machine Learning of Quasiparticle Energies in Molecules and Clusters

por Çaylak, Onur, Baumeier, Björn
Publicado 2021

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

por Çaylak, Onur, Yaman, Anil, Baumeier, Björn
Publicado 2019

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

por Sundaram, Vivek, Lyulin, Alexey V., Baumeier, Björn
Publicado 2020

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

por Sundaram, Vivek, Lyulin, Alexey V., Baumeier, Björn
Publicado 2022

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

por Forero-Martinez, Nancy C., Baumeier, Björn, Kremer, Kurt
Publicado 2019

Editorial: Many-Body Green’s Functions and the Bethe-Salpeter Equation in Chemistry: From Single Molecules to Complex Systems

por Dvorak, Marc, Baumeier, Björn, Golze, Dorothea, Leppert, Linn, Rinke, Patrick
Publicado 2022

Microscopic Simulations of Charge Transport in Disordered Organic Semiconductors

por Rühle, Victor, Lukyanov, Alexander, May, Falk, Schrader, Manuel, Vehoff, Thorsten, Kirkpatrick, James, Baumeier, Björn, Andrienko, Denis
Publicado 2011

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

por Wehner, Jens, Brombacher, Lothar, Brown, Joshua, Junghans, Christoph, Çaylak, Onur, Khalak, Yuriy, Madhikar, Pranav, Tirimbò, Gianluca, Baumeier, Björn
Publicado 2018

Insights into the Kinetics of Supramolecular Comonomer Incorporation in Water

por Lafleur, René P. M., Schoenmakers, Sandra M. C., Madhikar, Pranav, Bochicchio, Davide, Baumeier, Björn, Palmans, Anja R. A., Pavan, Giovanni M., Meijer, E. W.
Publicado 2019