Molecular simulation and related topics: some open mathematical problems

DOI10.1088/0951-7715/21/9/T03MaRDI QIDQ3525163zbMATH OpenOpenAlexFDO

Authors É. Cancès, P.-L. Lions, Claude Le Bris

Publication date 11 September 2008

Published in Nonlinearity (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1088/0951-7715/21/9/t03

zbMATH Keywords

computational chemistrycrystal problemsmolecular mechanicsthermodynamic limits

Mathematics Subject Classification ID

PDEs in connection with classical thermodynamics and heat transfer (35Q79) PDEs in connection with statistical mechanics (35Q82) Chemistry (general) in thermodynamics and heat transfer (80A50) Molecular physics (81V55) Statistical mechanics of crystals (82D25)

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