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COMPUTER- IMPLEMENTED METHOD AND SYSTEM FOR ESTIMATING A PROPERTY OF AN ATOM, GROUPS OF ATOMS OR MOLECULES APPLYING A GAUSSIAN PROCESS MODEL
COMPUTER- IMPLEMENTED METHOD AND SYSTEM FOR ESTIMATING A PROPERTY OF AN ATOM, GROUPS OF ATOMS OR MOLECULES APPLYING A GAUSSIAN PROCESS MODEL
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机译:应用高斯过程模型估算原子,原子团或分子性质的计算机实现方法和系统
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摘要
A method and system, for modelling atomic or molecular level structures or the atomic or molecular energies or forces in such structures is disclosed. The method and system use a Gaussian Process to estimate properties at the atom or molecular level in such structures.
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