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

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

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2021 ASPENCORE World Electronics Achievement Awards

Practical Aspects of Free-Energy Calculations: A Review

Mechanical Properties of Organic Semiconductors for Stretchable, Highly Flexible, and Mechanically Robust Electronics

Materials, properties and selection - ScienceDirect

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

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Mechanical Properties of Organic Semiconductors for Stretchable, Highly Flexible, and Mechanically Robust Electronics

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Machine Learning for Catalysis Informatics: Recent Applications and Prospects

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