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Computation sparks chemical discovery
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D O I:
10.1038/s41467-020-18651-x
中图分类号:
O [数理科学和化学];
P [天文学、地球科学];
Q [生物科学];
N [自然科学总论];
学科分类号:
07 ;
0710 ;
09 ;
摘要:
Computational chemistry methods with an optimal balance between predictive accuracy and computational cost hold major promise for accelerating the discovery of new molecules and materials. We at Nature Communications are eager to continue our engagement in this exciting and rapidly evolving field.
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共 7 条
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Fernandez-Serra, Marivi
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Harvard Univ, Dept Chem & Chem Biol, 12 Oxford St, Cambridge, MA 02138 USA
Vector Inst Artificial Intelligence, CIFAR AI Chair, 661 Univ Ave, Toronto, ON M5S 1M1, Canada
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Univ Toronto, Dept Comp Sci, 214 Coll St, Toronto, ON M5S 3H6, Canada
Univ Toronto, Dept Chem, Chem Phys Theory Grp, 80 St George St, Toronto, ON M5S 3H6, Canada
Karlsruhe Insititute Technol, Inst Nanotechnol, Hermann von Helmholtz Pl 1, D-76344 Eggenstein Leopoldshafen, Germany Harvard Univ, Dept Chem & Chem Biol, 12 Oxford St, Cambridge, MA 02138 USA

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Tech Univ Berlin, Machine Learning Grp, D-10587 Berlin, Germany
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Schwaller, Philippe
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