Combined molecular and spin dynamics simulation of BCC iron with vacancy defects Journal February, 2025
The divide expand consolidate scheme for unrestricted second order Møller–Plesset perturbation theory ground state energie... Journal January, 2025
Improving Bond Dissociations of Reactive Machine Learning Potentials through Physics-Constrained Data Augmentation Journal January, 2025
Solving the Hele–Shaw flow using the Harrow–Hassidim–Lloyd algorithm on superconducting devices: A study of efficiency and challenges Journal October, 2024
First-principles data for solid solution niobium-tantalum-vanadium alloys with body-centered-cubic structures Journal August, 2024
