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490 积分 2024-09-24 加入
ChecMatE: A workflow package to automatically generate machine learning potentials and phase diagrams for semiconductor alloys
2个月前
已完结
First-principles study of Si and Mg segregation in grain boundaries in Al and Cu: application of local-energy decomposition
3个月前
已完结
Improved Al-Mg alloy surface segregation predictions with a machine learning atomistic potential
3个月前
已完结
Applications and Advances in Machine Learning Force Fields
3个月前
已完结
Synergistically Optimizing Carrier Concentration and Decreasing Sound Velocity in n-type AgInSe2 Thermoelectrics
3个月前
已完结
Intrinsic Off-Centering and Light Conduction Band Structure Lead to High Thermoelectric Performance in N-Type Diamondoid AgInSe2
3个月前
已完结
Chalcopyrite the copper gatekeeper
3个月前
已完结
Structural, electronic, optical, elastic and thermodynamic properties of AgInSe2 from first principles
3个月前
已完结
Screened-exchange density functional theory description of the electronic structure and phase stability of the chalcopyrite materialsAgInSe2andAuInSe2
3个月前
已完结
Applications and Advances in Machine Learning Force Fields
3个月前
已完结
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