Concepedia

DPA-2: Towards a universal large atomic model for molecular and materials simulation

Han Wang, Duo Zhang, Xinzijian Liu, Xiangyu Zhang, Chengqian Zhang, Chun Cai, Hangrui Bi, Yiming Du, Xuejian Qin, Jiameng Huang,

Research Square · 2024 · 11 citations · 78 references

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Concepts

References

78

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text

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Adam: A Method for Stochastic Optimization

Diederik P. Kingma, Jimmy Ba · UvA-DARE (University of Amsterdam) · 2014 · 84.8K citations · Full text

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Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

Georg Kresse, J. Furthmüller · Computational Materials Science · 1996 · 74.7K citations

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Self-Consistent Equations Including Exchange and Correlation Effects

W. Kohn, L. J. Sham · Physical Review · 1965 · 63.2K citations · Full text

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AI-Assisted Pipeline for Dynamic Generation of Trustworthy Health Supplement Content at Scale

DROPS (Schloss Dagstuhl – Leibniz Center for Informatics) · 2018 · 45.7K citations · Full text

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