Výsledky vyhľadávania - "DelloStritto, Mark"

Predicting the properties of NiO with density functional theory: Impact of exchange and correlation approximations and validation of the r²SCAN functional.

Autori: DelloStritto, Mark J. Kaplan, Aaron D. Perdew, John P. a ďalší

Zdroj: APL Materials; Jun2023, Vol. 11 Issue 6, p1-7, 7p

Predmety: DENSITY functional theory, TRANSITION metal oxides, MACHINE learning, MOLECULAR dynamics, TOPICAL drug administration, MATERIALS science

Shear response in crystalline models of poly(p-phenylene terephthalamide).

Autori: Fiorin, Giacomo DelloStritto, Mark J. Percec, Simona a ďalší

Zdroj: Molecular Physics; Oct 2021, Vol. 119 Issue 19/20, p1-14, 14p

Predmety: SHEAR (Mechanics), SHEAR strain, INTERMOLECULAR forces, SHEAR strength, STRAIN rate, POLYPHENYLENETEREPHTHALAMIDE, POLYAMIDES

Improved loss functions for machine-learned atomic potentials.

Autori: DelloStritto, Mark Klein, Michael L

Zdroj: J Chem Phys ; ISSN:1089-7690 ; Volume:163 ; Issue:13

Relation: https://doi.org/10.1063/5.0280032; https://pubmed.ncbi.nlm.nih.gov/41031758

Dostupnosť: https://doi.org/10.1063/5.0280032
https://pubmed.ncbi.nlm.nih.gov/41031758