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Efficient Crystal Structure Prediction for Structurally Related Molecules with Accurate and Transferable Tailor-Made Force Fields

Alessandra Mattei,Richard S. Hong,Hanno Dietrich,Dzmitry Firaha,Julian Helfferich,Yifei Michelle Liu,Kiran Sasikumar,Nathan S. Abraham,Rajni Miglani Bhardwaj,Marcus A. Neumann,Ahmad Y. Sheikh

Journal of Chemical Theory and Computation（2022）

引用 7|浏览22
关键词
Computational Chemistry
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