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Large-Scale Parameter Estimation for Crystal Structure Prediction. Part 1: Dataset, Methodology, and Implementation (2024)

First Author: Bowskill D

Attributed to: Transforming synthetic drug manufacturing: novel processes, methods and tools funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1021/acs.jctc.4c01091

Publication URI: http://dx.doi.org/10.1021/acs.jctc.4c01091

Type: Journal Article/Review

Parent Publication: Journal of Chemical Theory and Computation

Issue: 22