Movies showing PAMD integration of an overdamped harmonic oscillator
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).
Files
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
Additional details
- CALTECHDATA_ID
- 20111
- :unav DE-FOA-0001912
- US Department of Energy
- :unav N00014-10-1-0884
- US Office of Naval Research
- :unav DE-AC02-05CH11231
- DOE Office of Science User Facility