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Dmytro Antypov

4 results in Authors: Dmytro Antypov

Materials Science

A Highly Flexible Metal-Organic Framework Constructed from Asymmetric Flexible Linkers and Heptanuclear Zinc Carboxylate Secondary Building Units and its Anisotropic Dynamic Responses Exhibited During Guest Removal and Single Crystal Coordinated Solvent Exchange

Elliot J Carrington, Rémi Pétuya, Rebecca K Hylton, Yong Yan, Dmytro Antypov, George Darling, Matthew Dyer, Neil G Berry, Alexandros P Katsoulidis, Matthew J Rosseinsky

Version 1 posted 30 April 2019

723

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Materials Chemistry

Statistically derived proxy potentials accelerate geometry optimisation of crystal structures

Dmytro Antypov, Christopher M. Collins, Andrij Vasylenko, Vladimir Gusev, Michael W. Gaultois, George R. Darling, Matthew S. Dyer, Matthew J. Rosseinsky

Version 1 posted 16 October 2023

171

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Materials Chemistry

Accelerating Metal-Organic Framework Discovery via Synthesisability Prediction: The MFD Evaluation Method for One-Class Classification Models

Chi Zhang, Dmytro Antypov, Matthew J Rosseinsky, Matthew Stephen Dyer

Version 1 posted 22 May 2024

117

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Theoretical and Computational Chemistry

Reinforcement Learning in Crystal Structure Prediction

Elena Zamaraeva, Christopher M. Collins, Dmytro Antypov, Vladimir V. Gusev, Rahul Savani, Matthew S. Dyer, George R. Darling, Igor Potapov, Matthew J. Rosseinsky, Paul G. Spirakis

Version 1 posted 21 March 2023

594

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1

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