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Understanding Molecular Simulation: From Algorithms to Applications

, and . Computational Science Series Academic Press, San Diego, Second edition, (2002)

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Understanding Molecular Simulation, and . Academic Press, San Diego, First edition, (1996)Chemical Hieroglyphs: Abstract Depiction of Complex Void Space Topology of Nanoporous Materials., , and . Journal of Chemical Information and Modeling, 50 (4): 461-469 (2010)A multi-modal pre-training transformer for universal transfer learning in metal-organic frameworks., , , and . Nat. Mac. Intell., 5 (3): 309-318 (March 2023)Addressing Challenges of Identifying Geometrically Diverse Sets of Crystalline Porous Materials., , and . Journal of Chemical Information and Modeling, 52 (2): 308-318 (2012)14 Examples of How LLMs Can Transform Materials Science and Chemistry: A Reflection on a Large Language Model Hackathon., , , , , , , , , and 43 other author(s). CoRR, (2023)Understanding Molecular Simulation: From Algorithms to Applications, and . Computational Science Series Academic Press, San Diego, Second edition, (2002)SELFIES and the future of molecular string representations., , , , , , , , , and 21 other author(s). CoRR, (2022)pyIAST: Ideal adsorbed solution theory (IAST) Python package., , and . Comput. Phys. Commun., (2016)A reproducibility study of Äugmenting Genetic Algorithms with Deep Neural Networks for Exploring the Chemical Space"., , , , and . CoRR, (2021)Understanding Molecular Simulatios, and . Academic Press, 2 edition, (2001)