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Practical Aspects of Free-Energy Calculations: A Review

2021 ASPENCORE World Electronics Achievement Awards

Machine Learning for Catalysis Informatics: Recent Applications and Prospects

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29th Annual Computational Neuroscience Meeting: CNS*2020, BMC Neuroscience

Computational Discovery of Transition-metal Complexes: From High-throughput Screening to Machine Learning

Systematic Optimization of a Fragment-Based Force Field against Experimental Pure-Liquid Properties Considering Large Compound Families: Application to Saturated Haloalkanes

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Artificial Molecular Rotors

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Abstract - 2022 - European Journal of Clinical Investigation - Wiley Online Library

The Florida anthropologist