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Molecular Dynamics of Heterogeneous Systems on GPUs and Their Application to Nucleation in Gas Expanding to a Vacuum

  • Published:2021-11-19 Issue:12 Volume:17 Page:7397-7405
  • ISSN:1549-9618
  • Container-title:Journal of Chemical Theory and Computation
  • language:en
  • Short-container-title:J. Chem. Theory Comput.

Author:

Celný David123ORCID,Klíma Martin2,Kolafa Jiří2ORCID

Affiliation:

1. Faculty of Nuclear Sciences and Physical Engineering, Czech Technical University in Prague, Břehová 7, 115 19 Prague 1, Czech Republic

2. Department of Physical Chemistry, University of Chemistry and Technology in Prague, Technická 5, 166 28 Praha 6, Czech Republic

3. Department of Thermodynamics, Institute of Thermomechanics of the CAS, v. v. i. Dolejškova 1402/5 182 00 Prague 8 Czech Republic

Funder

Ministerstvo ??kolstv??, Ml??de??e a T??lov??chovy

Grantov?? Agentura ??esk?? Republiky

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Cited by 3 articles. 订阅此论文施引文献 订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Novel barostat implementation for molecular dynamics;The Journal of Chemical Physics;2024-05-10

2. Properties of water and argon clusters developed in supersonic expansions;The Journal of Chemical Physics;2023-09-22

3. Electron-induced fragmentation of water droplets: Simulation study;The Journal of Chemical Physics;2022-04-14
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