Categories

• data 2
• papers 21
• paper 20
• misc 1
• home 1
• team 3
• news 1

data

• Disaggregation assay data visualization
• Aggregation assay data visualization

papers

• 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

paper

• 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

misc

• Baumeier Research Group

home

• Baumeier Research Group

team

• Vivek Sundaram
• Zhongquan Chen
• Bjorn Baumeier

news

• Vivek obtains compute grant