Peter Bolhuis
Universiteit van Amsterdam
H-index: 61
Europe-Netherlands
Top articles of Peter Bolhuis
More with less: Harvesting transition mechanism, free energy, and rates from short parallel molecular dynamics simulations
Biophysical Journal
2024/2/8
Data-driven dynamical coarse-graining for condensed matter systems
The Journal of Chemical Physics
2024/1/14
Activity affects the stability, deformation and breakage dynamics of colloidal architectures
Soft Matter
2024
Decoding dissociation of sequence-specific protein–DNA complexes with non-equilibrium simulations
Nucleic Acids Research
2023/12/11
Molecular free energies, rates, and mechanisms from data-efficient path sampling simulations
Journal of Chemical Theory and Computation
2023/11/21
Optimizing molecular potential models by imposing kinetic constraints with path reweighting
The Journal of Chemical Physics
2023/8/21
Machine-guided path sampling to discover mechanisms of molecular self-organization
Nature Computational Science
2023/4
Artificial intelligence for molecular mechanism discovery
Biophysical Journal
2023/2/10
Homogeneous nucleation of crystalline methane hydrate in molecular dynamics transition paths sampled under realistic conditions
The Journal of Chemical Physics
2023/1/28
Path Sampling Simulations Reveal How the Q61L Mutation Alters the Dynamics of KRas
The Journal of Physical Chemistry B
2022/11/25
Extended Wertheim theory predicts the anomalous chain length distributions of divalent patchy particles under extreme confinement
The Journal of Chemical Physics
2022/9/7
Force field optimization by imposing kinetic constraints with path reweighting
arXiv preprint arXiv:2207.04558
2022/7/10
Revealing polymerization kinetics with colloidal dipatch particles
Physical Review Letters
2021/8/30
An extended autoencoder model for reaction coordinate discovery in rare event molecular dynamics datasets
The Journal of Chemical Physics
2021/8/14
A temperature-dependent critical Casimir patchy particle model benchmarked onto experiment
The Journal of Chemical Physics
2021/7/21
Autonomous artificial intelligence discovers mechanisms of molecular self-organization in virtual experiments
arXiv preprint arXiv:2105.06673
2021/5/14
Revealing pseudorotation and ring-opening reactions in colloidal organic molecules
Nature communications
2021/5/14
Homogenous nucleation rate of CO2 hydrates using transition interface sampling
The Journal of Chemical Physics
2021/4/28
Transition path sampling as Markov chain Monte Carlo of trajectories: Recent algorithms, software, applications, and future outlook
Advanced Theory and Simulations
2021/4
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