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40 积分 2024-12-09 加入
Estimation of spin contamination errors in DFT/plane-wave calculations of solid materials using approximate spin projection scheme
1个月前
已完结
Machine-learning interatomic potentials for materials science
4个月前
已完结
Molecular dynamics study of diffusion of heavy water in normal water at different temperatures
4个月前
已完结
Dissociation of N2 on a Si(111)‐7x7 Surface at Room Temperature
4个月前
已完结
Molecular dynamics simulation of water transport through graphene-based nanopores: Flow behavior and structure characteristics
4个月前
已完结
Partial Air Wetting on Solvophobic Surfaces in Polar Liquids
4个月前
已完结
Effect of HDO on the structural and thermophysical properties of water–heavy water mixtures: atomistic insights from molecular dynamics with TIP4P/2005-derived models
4个月前
已关闭
The footprint sorting problem
6个月前
已完结
Dynamics of water trapped in transition metal oxide-graphene nano-confinement
8个月前
已完结
Vacancy defects and the formation of local haeckelite structures in graphene from tight-binding molecular dynamics
8个月前
已完结
An Anti–saliva contamination Bonding Strategy Based on Polycation Assembly
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