Breaking the mold: Overcoming the time constraints of molecular dynamics on general-purpose hardware

Danny Perez; Aidan Thompson; Stan Moore; Tomas Oppelstrup; Ilya Sharapov; Kylee Santos; Amirali Sharifian; Delyan Kalchev; Robert Schreiber; Scott D. Pakin; Edgar Leon; James Larros; Michael James; Sivasankaran Rajamanickam

doi:10.1063/5.0249193

Journal article

Breaking the mold: Overcoming the time constraints of molecular dynamics on general-purpose hardware

Danny Perez, Aidan Thompson, Stan Moore, Tomas Oppelstrup, Ilya Sharapov, Kylee Santos, Amirali Sharifian, Delyan Kalchev, Robert Schreiber, Scott D. Pakin, …

The Journal of Chemical Physics, Vol.162(7)

02/19/2025

DOI: https://doi.org/10.1063/5.0249193

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Mathematics & Computing(97)

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Title: Breaking the mold: Overcoming the time constraints of molecular dynamics on general-purpose hardware
Authors/Creators - name: Danny Perez
Aidan Thompson
Stan Moore
Tomas Oppelstrup
Ilya Sharapov
Kylee Santos
Amirali Sharifian
Delyan Kalchev
Robert Schreiber
Scott D. Pakin
Edgar Leon
James Larros
Michael James
Sivasankaran Rajamanickam
Publication Details: The Journal of Chemical Physics, Vol.162(7)
Number of pages: 7
Government Number: LA-UR-24-32162
Language: English
Resource Type: Journal article
DOI: https://doi.org/10.1063/5.0249193
Publication ISSN: 1089-7690