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54 积分 2024-11-11 加入
Simulation of Crystalline and Amorphous Copper Phthalocyanine: Force Field Development and Analysis of Thermal Transport Mechanisms
3个月前
已关闭
Homogeneous nonequilibrium molecular dynamics method for heat transport and spectral decomposition with many-body potentials
4个月前
已完结
Correcting force error-induced underestimation of lattice thermal conductivity in machine learning molecular dynamics
4个月前
已完结
Deep neural network for the dielectric response of insulators
5个月前
已完结
Deep neural network for the dielectric response of insulators
5个月前
已完结
Ab initio theory of moiré superlattice bands in layered two-dimensional materials
6个月前
已完结
Closed-loop optimization of general reaction conditions for heteroaryl Suzuki-Miyaura coupling
7个月前
已完结
MLIP-3: Active learning on atomic environments with moment tensor potentials
7个月前
已完结
Atomically Engineering the Electrochemical, Structural, and Thermal Properties of Two-Dimensional Transition-Metal Dichalcogenide Monolayers and Heterostructures for Alkali Metal-Ion Battery Anode Applications
7个月前
已关闭
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