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jxzou
Lv3
400 积分
2021-11-23 加入
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Coupled cluster-inspired geminal wavefunctions
10天前
已完结
Learning from multiple quantum chemical methods: Δ-learning, transfer learning, co-kriging, and beyond
2个月前
已关闭
Massively parallel GPU enabled third-order cluster perturbation excitation energies for cost-effective large scale excitation energy calculations
2个月前
已完结
Autoregressive neural-network wavefunctions for ab initio quantum chemistry
4个月前
已完结
Impacts of polarizable continuum models on the SCF convergence and DFT delocalization error of large molecules
5个月前
已完结
Mechanistic Insights into Water Autoionization through Metadynamics Simulation Enhanced by Machine Learning
5个月前
已完结
Optimizing the regularization in size-consistent second-order Brillouin-Wigner perturbation theory
5个月前
已关闭
Methane Activation by [AlFeO3]+: the Hidden Spin Selectivity
6个月前
已完结
Coupled cluster theory for the ground and excited states of two-dimensional quantum dots
6个月前
已完结
Formation energies of silicon self-interstitials using periodic coupled cluster theory
6个月前
已完结
Antifungal effects of hinokitiol on development of Botrytis cinerea in vitro and in vivo
2年前
已采纳
Gemcitabine synergizes with cisplatin to inhibit nasopharyngeal carcinoma cell proliferation and tumor growth
2年前
已采纳
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