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cond-mat.mtrl-sci2024
SG-NNP: Species-separated Gaussian Neural Network Potential with Linear Elemental Scaling and Optimized Dimensions for Multi-component Materials
Ji Wei Yoon, Bangjian Zhou, J Senthilnath
Accurate simulations of materials at long-time and large-length scales have increasingly been enabled by Machine-learned Interatomic Potentials (MLIPs). There have been increasing…
cond-mat.mtrl-sci2023
Generating Nanoporous Graphene from Point and Stone-Wales Defects: A Study with Dimensionally Restricted Molecular Dynamics (DR-MD)
Ji Wei Yoon
Defects in graphene are both a boon and a bane for applications - they can induce uncontrollable effects but can also provide novel ways to manipulate the properties of pristine gr…