Bjorn Baumeier

Associate Professor
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I earned my Diploma (2005) and PhD (2009) in Physics from the Westfäische Wilhelms-Universität Münster (Germany), focusing on self-interaction corrections to density-functional theory in Johannes Pollmann’s group at the Institute of Solid State Theory. A postdoctoral fellowship from the German Academic Exchange Service allowed me to work with Alexei Maradudin at University of California Irvine (USA) on optical interactions and scattering at nonideal surfaces. I then joined the Polymer Theory group of Kurt Kremer at the Max Planck Institute for Polymer Research in Mainz (Germany) to work on multiscale simulations in soft matter. After six years, first as a research associate and later as project leader “Computational Chemistry”, I moved to starts as Assistant Professor at Eindhoven University of Technology in September 2015. In 2020, I was promoted to Associate Professor.

The research activity in my group is devoted to the development and application of multiscale simulation techniques for the study of electronic transport processes in soft matter. Our models combine techniques from computational chemistry, statistical physics, and mathematics and will allow for the analysis of the interplay between molecular electronic structure and material morphology, relevant for many opto-electronic device properties or bio-molecular processes.

I believe that my role as a teacher is not only to pass on information to my students. It is more difficult, both for the teacher and for the student, to also teach them how to think. In evolving fields such as physics, chemistry, or materials science, factual knowledge changes rapidly but the ability to reason is what allows us to master these changes.


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

Machine Learning of Quasiparticle Energies in Molecules and Clusters

Ab initio modeling of excitons: from perfect crystals to biomaterials

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

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

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

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

Wasserstein metric for improved quantum machine learning with adjacency matrix representations

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

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

Ultrafast Formation of the Charge Transfer State of Prodan Reveals Unique Aspects of the Chromophore Environment

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

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

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

Insights into the Kinetics of Supramolecular Comonomer Incorporation in Water

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

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

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

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

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