Published April 21, 2022 | Version 1.0
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Movies showing PAMD integration of an overdamped harmonic oscillator

  • 1. ROR icon California Institute of Technology

Description

Supplementary movies M1 and M2 show execution of the path-accelerated molecular dynamics (PAMD) integration scheme as it accumulates position histograms during simulations of the overdamped harmonic oscillator while respectively performing N_{sample} = 1 (M1) and N_{sample} = 4 (M2) MC path sampling operations per PAMD step. The movies supplement the data on Fig. 3E of the corresponding article published in J. Chem. Phys. (DOI: 10.1063/1.5125455).

Other

Related Publication:

Path-accelerated stochastic molecular dynamics: Parallel-in-time integration using path integrals

Jorge L. Rosa-RaĆ­ces Division of Chemistry and Chemical Engineering, California Institute of Technology

Bin Zhang Department of Chemistry, Massachussetts Institute of Technology

Thomas F. Miller, III Division of Chemistry and Chemical Engineering, California Institute of Technology

The Journal of Chemical Physics

2019-10-29

https://doi.org/10.1063/1.5125455

eng

Files

supplementary_movie_captions.pdf
Files (4.4 MB)
Name Size
md5:136722776abd7c2700fcd39461e845b0
551.8 kB Preview Download
md5:1cd3bb67c5919fa808307745dd3c4954
1.9 MB Download
md5:863a8996478515262ab5ac5d28e35f63
2.0 MB Download

Additional details

Created:
September 8, 2022
Modified:
September 8, 2022