scientific article; zbMATH DE number 1961059

MaRDI QIDQ4415950zbMATH OpenFDO

Authors Al Globus, Madhu Menon, Deepak Srivastava

Publication date 7 August 2003

zbMATH Keywords

atomistic simulation of reactive systemsmolecular dynamics

Mathematics Subject Classification ID

Probabilistic models, generic numerical methods in probability and statistics (65C20) Applications of statistical mechanics to specific types of physical systems (82D99) Mathematical programming (90C99) Classical flows, reactions, etc. in chemistry (92E20)

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(2)

• JavaGenes
• \texttt{GROW}: a gradient-based optimization workflow for the automated development of molecular models

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