Citation Impact
Citing Papers
LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales
2021 Standout
The Fano resonance in plasmonic nanostructures and metamaterials
2010 Standout
The calculations of excited-state properties with Time-Dependent Density Functional Theory
2012 Standout
Molecular Dynamics Simulation for All
2018 Standout
Key role of the REC lobe during CRISPR–Cas9 activation by ‘sensing’, ‘regulating’, and ‘locking’ the catalytic HNH domain
2018 StandoutNobel
Recent advances in engineering microbial rhodopsins for optogenetics
2015 StandoutNobel
Nonlinear Fano-Feshbach resonances
2009
Aza-boron-dipyrromethene dyes: TD-DFT benchmarks, spectral analysis and design of original near-IR structures
2011
Directed Evolution of Gloeobacter violaceus Rhodopsin Spectral Properties
2014 StandoutNobel
Accelerating Cryptic Pocket Discovery Using AlphaFold
2023
Photothermal therapy and photoacoustic imaging via nanotheranostics in fighting cancer
2018 Standout
Fano resonances in nanoscale structures
2010 Standout
Self-healing polymers
2020 Standout
The ORCA quantum chemistry program package
2020 Standout
Toward Automatic Rhodopsin Modeling as a Tool for High-Throughput Computational Photobiology
2016
Double‐hybrid density functionals
2014
Origin of Fluorescence in 11-cis Locked Bovine Rhodopsin
2012
Taking Up the Cyanine Challenge with Quantum Tools
2015
Structural modification strategies for the rational design of red/NIR region BODIPYs
2014 Standout
Ion-dependent protein–surface interactions from intrinsic solvent response
2021 StandoutNobel
Crystal melting and glass formation in copper thiocyanate based coordination polymers
2019 StandoutNobel
Using metadynamics to explore complex free-energy landscapes
2020
New Perspectives on an Old Issue: A Comparative MS‐CASPT2 and OM2‐MRCI Study of Polyenes and Protonated Schiff Bases
2017
Protein Ensemble Generation Through Variational Autoencoder Latent Space Sampling
2024 StandoutNobel
Embedded Correlated Wavefunction Schemes: Theory and Applications
2014
Time-Dependent Double-Hybrid Density Functionals with Spin-Component and Spin-Opposite Scaling
2017
Molecular Docking: Shifting Paradigms in Drug Discovery
2019 Standout
RNA Structural Dynamics As Captured by Molecular Simulations: A Comprehensive Overview
2018
Quantum Chemical Methods for the Prediction of Energetic, Physical, and Spectroscopic Properties of Ionic Liquids
2017
Electron Injection from Copper Diimine Sensitizers into TiO2: Structural Effects and Their Implications for Solar Energy Conversion Devices
2015 StandoutNobel
Assessment of n-Electron Valence State Perturbation Theory for Vertical Excitation Energies
2013
Thirty years of density functional theory in computational chemistry: an overview and extensive assessment of 200 density functionals
2017 Standout
Enhanced sampling in molecular dynamics
2019
TD-DFT benchmarks: A review
2013
Understanding Catalytic Activity Trends in the Oxygen Reduction Reaction
2018 Standout
Closing the Gap Between Modeling and Experiments in the Self-Assembly of Biomolecules at Interfaces and in Solution
2020
Biasing Smarter, Not Harder, by Partitioning Collective Variables into Families in Parallel Bias Metadynamics
2018
Prediction of Protein–Ligand Binding Poses via a Combination of Induced Fit Docking and Metadynamics Simulations
2016
Revisiting the optical signatures of BODIPY with ab initio tools
2013
Spectral Tuning of Rhodopsin and Visual Cone Pigments
2014
GFN2-xTB—An Accurate and Broadly Parametrized Self-Consistent Tight-Binding Quantum Chemical Method with Multipole Electrostatics and Density-Dependent Dispersion Contributions
2019 Standout
Software update: The ORCA program system—Version 5.0
2022 Standout
Time-Dependent Long-Range-Corrected Double-Hybrid Density Functionals with Spin-Component and Spin-Opposite Scaling: A Comprehensive Analysis of Singlet–Singlet and Singlet–Triplet Excitation Energies
2021
CASTp 3.0: computed atlas of surface topography of proteins
2018 Standout
Works of Ómar Valsson being referenced
Excitation energies of retinal chromophores: critical role of the structural model
2012
Variational Approach to Enhanced Sampling and Free Energy Calculations
2014
Rhodopsin Absorption from First Principles: Bypassing Common Pitfalls
2013
State-Specific Embedding Potentials for Excitation-Energy Calculations
2013
Enhancing Important Fluctuations: Rare Events and Metadynamics from a Conceptual Viewpoint
2016
Conformational Entropy as Collective Variable for Proteins
2017
Coherent switching by detuning a side-coupled quantum-dot system
2008
Coarse graining from variationally enhanced sampling applied to the Ginzburg–Landau model
2017
Electronic Excitations of Simple Cyanine Dyes: Reconciling Density Functional and Wave Function Methods
2011
Photoisomerization of Model Retinal Chromophores: Insight from Quantum Monte Carlo and Multiconfigurational Perturbation Theory
2010