- 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

- 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