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Autor:
Jonathan T. Willman, Kien Nguyen-Cong, Ashley S. Williams, Anatoly B. Belonoshko, Stan G. Moore, Aidan P. Thompson, Mitchell A. Wood, Ivan I. Oleynik
Publikováno v:
Physical Review B. 106
A Spectral Neighbor Analysis (SNAP) machine learning interatomic potential (MLIP) has been developed for simulations of carbon at extreme pressures (up to 5 TPa) and temperatures (up to 20,000 K). This was achieved using a large database of experimen