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40 积分 2022-12-19 加入
Balancing the Contributions to the Gradient Expansion: Accurate Binding and Band Gaps with a Nonempirical Meta-GGA
1个月前
已完结
Hybrid Monte Carlo method with potential scaling for sampling from the canonical multimodal distribution and imitating the relaxation process
1个月前
已关闭
CO2 Photoreduction on Metal Oxide Surface Is Driven by Transient Capture of Hot Electrons: Ab Initio Quantum Dynamics Simulation
3个月前
已完结
The future of two-dimensional semiconductors beyond Moore’s law
5个月前
已完结
QUDEN: A Matlab Package for First‐Principles Quantum‐Transport Engineering of 2D Material‐Based Nanodevices
6个月前
已完结
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