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Alessandra Mattei

2 results in Authors: Alessandra Mattei

Theoretical and Computational Chemistry

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

Version 1 posted 23 May 2022

302

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Theoretical and Computational Chemistry

A Data-Driven and Topological Mapping Approach for the A Priori Prediction of Stable Molecular Crystalline Hydrates

Richard Hong, Alessandra Mattei, Ahmad Sheikh, Mark Tuckerman

Version 1 posted 19 April 2022

221

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