azTotMD 2.0: Molecular dynamics with the radiative thermostat and temperature-dependent force field (CUDA version)
azTotMD 2.0 is a parallel molecular dynamics program which includes both conventional algorithms and a novel “radiative” thermostat and a temperature-dependent force field. The radiative thermostat is based on the black-body radiation law and acts like virtual adsorption and radiation of photons. Th...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2022-01-01
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| Series: | SoftwareX |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2352711022000127 |