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Chemistry

D-Index
67
Citations
19390
World Ranking
6797
National Ranking
151

Overview

Peter G. Bolhuis is affiliated with the University of Amsterdam in the Netherlands. Their research spans several fields within physics and molecular sciences, with a focus on the understanding of molecular dynamics and rare event simulations.

Bolhuis's main fields of study include:

  • Physics and Astronomy
  • Biochemistry, Genetics and Molecular Biology

Within these broader fields, the scientist has contributed to multiple subfields of study:

  • Molecular Biology
  • Atomic and Molecular Physics, and Optics
  • Materials Chemistry
  • Statistical and Nonlinear Physics
  • Radiation

The main topics of their work cover various aspects of molecular and material sciences, including:

  • Protein Structure and Dynamics
  • Spectroscopy and Quantum Chemical Studies
  • Machine Learning in Materials Science
  • Advanced Chemical Physics Studies
  • Pickering Emulsions and Particle Stabilization
  • Material Dynamics and Properties
  • Nuclear Physics and Applications

The scientist has published extensively, contributing notably to the following venues:

  • The Journal of Chemical Physics
  • arXiv (Cornell University)
  • Zenodo (CERN European Organization for Nuclear Research)
  • The Journal of Physical Chemistry B
  • Soft Matter

Frequent collaborators include:

  • Roberto Covino
  • Hendrik Jung
  • A. Arjun
  • Gianmarco Lazzeri
  • H. J. Jonas

Some of the recent papers by Peter G. Bolhuis illustrate the scope and focus of the research, including:

  • "Machine-guided path sampling to discover mechanisms of molecular self-organization," 2023, Nature Computational Science
  • "Transition Path Sampling as Markov Chain Monte Carlo of Trajectories: Recent Algorithms, Software, Applications, and Future Outlook," 2021, Advanced Theory and Simulations
  • "Molecular Understanding of Homogeneous Nucleation of CO2 Hydrates Using Transition Path Sampling," 2020, The Journal of Physical Chemistry B
  • "An extended autoencoder model for reaction coordinate discovery in rare event molecular dynamics datasets," 2021, The Journal of Chemical Physics
  • "Rate Prediction for Homogeneous Nucleation of Methane Hydrate at Moderate Supersaturation Using Transition Interface Sampling," 2020, The Journal of Physical Chemistry B

Best Publications

  • TRANSITION PATH SAMPLING: Throwing Ropes Over Rough Mountain Passes, in the Dark

    Peter G. Bolhuis;David Chandler;Christoph Dellago;Phillip L. Geissler

  • Transition path sampling and the calculation of rate constants

    Christoph Dellago;Peter G. Bolhuis;Félix S. Csajka;David Chandler

  • Promoting transparency and reproducibility in enhanced molecular simulations

    M. Bonomi;M. Bonomi;B. Giovanni;C. Camilloni;G.A. Tribello

  • Tracing the phase boundaries of hard spherocylinders

    Peter Bolhuis;Daan Frenkel

  • A novel path sampling method for the calculation of rate constants

    Titus S. van Erp;Daniele Moroni;Peter G. Bolhuis

  • Can polymer coils Be modeled as "Soft colloids"?

    A. A. Louis;P. G. Bolhuis;J. P. Hansen;E. J. Meijer

  • Reaction coordinates of biomolecular isomerization

    Peter G. Bolhuis;Christoph Dellago;David Chandler

  • Efficient transition path sampling: Application to Lennard-Jones cluster rearrangements

    Christoph Dellago;Peter G. Bolhuis;David Chandler

  • Entropy difference between crystal phases

    P. G. Bolhuis;D. Frenkel;Siun-Choun Mau;David A. Huse

  • On the calculation of reaction rate constants in the transition path ensemble

    Christoph Dellago;Peter G. Bolhuis;David Chandler

  • Allostery in Its Many Disguises: From Theory to Applications

    Shoshana J. Wodak;Emanuele Paci;Nikolay V. Dokholyan;Nikolay V. Dokholyan;Igor N. Berezovsky

  • Accurate effective pair potentials for polymer solutions

    P. G. Bolhuis;A. A. Louis;J. P. Hansen;E. J. Meijer

  • Interplay between structure and size in a critical crystal nucleus.

    Daniele Moroni;Pieter Rein ten Wolde;Peter G Bolhuis

  • Sampling the multiple folding mechanisms of Trp-cage in explicit solvent

    J. Juraszek;P. G. Bolhuis

  • Transition Path Sampling

    Christoph Dellago;Peter G. Bolhuis;Phillip L. Geissler

  • Transition-path sampling of beta hairpin folding

    Peter G. Bolhuis

  • Monte Carlo study of freezing of polydisperse hard spheres.

    Peter G. Bolhuis;David A. Kofke

  • Prediction of an expanded-to-condensed transition in colloidal crystals.

    Peter Bolhuis;Daan Frenkel

  • Influence of polymer excluded volume on the phase behavior of colloid--polymer mixtures

    P.G. Bolhuis;A.A. Louis;J.P. Hansen

  • Isostructural solid-solid transition in crystalline systems with short-ranged interaction

    Peter Bolhuis;Maarten Hagen;Daan Frenkel

  • Rate Constant and Reaction Coordinate of Trp-Cage Folding in Explicit Water

    Jarek Juraszek;Peter G. Bolhuis

Frequent Co-Authors

Ard A. Louis
Ard A. Louis University of Oxford
Daan Frenkel
Daan Frenkel University of Cambridge
Jean-Pierre Hansen
Jean-Pierre Hansen University of Cambridge
Evert Jan Meijer
Evert Jan Meijer University of Amsterdam
David Chandler
David Chandler University of California, Berkeley
Martien A. Cohen Stuart
Martien A. Cohen Stuart Wageningen University & Research
Willem K. Kegel
Willem K. Kegel Utrecht University
Marjolein Dijkstra
Marjolein Dijkstra Utrecht University
Bernd Ensing
Bernd Ensing University of Amsterdam
Phillip L. Geissler
Phillip L. Geissler University of California, Berkeley

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