most citedFalse Metallization in Short-Ranged Machine Learned Interatomic Potentials

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physics.chem-ph2026★ 1 cited

False Metallization in Short-Ranged Machine Learned Interatomic Potentials

Isaac J. Parker, Mandy J. Hoffmann, William J. Baldwin +7

Machine learned interatomic potentials (MLIPs) have enabled atomistic simulations with ab initio accuracy for a fraction of the computational cost. However, many widely used MLIPs…

cond-mat.mtrl-sci2023

Temperature effects in topological insulators of transition metal dichalcogenide monolayers

Siyu Chen, Isaac J. Parker, Bartomeu Monserrat

We investigate the role of temperature on the topological insulating state of metal dichalcogenide monolayers, 1T-MX (M=W, Mo and X=S, Se). Using first principles calc…