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Results: 187
Number of items: 187
  • Open Access
    Arjun, A., & Bolhuis, P. G. (2021). Molecular Understanding of Homogeneous Nucleation of CO2 Hydrates Using Transition Path Sampling. Journal of Physical Chemistry B, 125(1), 338-349. https://doi.org/10.1021/acs.jpcb.0c09915
  • Open Access
    Jonas, H. J., Stuij, S. G., Schall, P., & Bolhuis, P. G. (2021). A temperature-dependent critical Casimir patchy particle model benchmarked onto experiment. Journal of Chemical Physics, 155(3), Article 034902. https://doi.org/10.1063/5.0055012
  • Open Access
    Puthenkalathil, R. C. (2021). Unraveling the mechanism of biomimetic hydrogen fuel production: A computational study. [Thesis, fully internal, Universiteit van Amsterdam].
  • Open Access
    Frassek, M., Arjun, A., & Bolhuis, P. G. (2021). An extended autoencoder model for reaction coordinate discovery in rare event molecular dynamics datasets. Journal of Chemical Physics, 155(6), Article 064103. https://doi.org/10.1063/5.0058639
  • Open Access
    Arjun, A., & Bolhuis, P. G. (2021). Homogenous nucleation rate of CO2 hydrates using transition interface sampling. Journal of Chemical Physics, 154(16), Article 164507. https://doi.org/10.1063/5.0044883
  • Open Access
    Arjun, A., & Bolhuis, P. G. (2020). Rate Prediction for Homogeneous Nucleation of Methane Hydrate at Moderate Supersaturation Using Transition Interface Sampling. Journal of Physical Chemistry B, 124(37), 8099-8109. https://doi.org/10.1021/acs.jpcb.0c04582
  • Open Access
    Govindarajan, N. (2020). Modeling solvent effects in catalytic reactions for energy conversion. [Thesis, fully internal, Universiteit van Amsterdam].
  • Vreede, J., Roet, S., Swenson, D., Hooft, F., & Bolhuis, P. (2020, February 22). Multiple State Transition Path Sampling simulations of KRas, wild type and oncogenic mutant Q61L [Data set]. Universiteit van Amsterdam. https://doi.org/10.21942/uva.11865579.v1
  • Open Access
    Buijsman, P., & Bolhuis, P. G. (2020). Transition path sampling for non-equilibrium dynamics without predefined reaction coordinates. Journal of Chemical Physics, 152(4), Article 044108. https://doi.org/10.1063/1.5130760
  • Bolhuis, P. (2019). Free energy, kinetics, and reaction coordinates of biomolecular processes from transition path sampling simulations. Abstracts2view : American Chemical Society Meeting, 257. https://tpa.acs.org/abstract/acsnm257-3126806/free-energy-kinetics-and-reaction-coordinates-of-biomolecular-processes-from-transition-path-sampling-simulations
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