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Atomic permutationally invariant polynomials for fitting molecular force fields
Abstract: We introduce and explore an approach for constructing force fields for small molecules, which combines intuitive low body order empirical force field terms with the concepts of data driven statistical fits of recent...
Atomic permutationally invariant polynomials for fitting molecular force fields
Abstract: We introduce and explore an approach for constructing force fields for small molecules, which combines intuitive low body order empirical force field terms with the concepts of data driven statistical fits of recent...
Atomic permutationally invariant polynomials for fitting molecular force fields
Abstract: We introduce and explore an approach for constructing force fields for small molecules, which combines intuitive low body order empirical force field terms with the concepts of data driven statistical fits of recent...