Molecular dynamics. With deterministic and stochastic numerical methods

DOI10.1007/978-3-319-16375-8zbMath1351.82001MaRDI QIDQ2339767

Benedict J. Leimkuhler, Charles Matthews

Publication date: 7 April 2015

Published in: Interdisciplinary Applied Mathematics (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/978-3-319-16375-8

Mathematics Subject Classification ID

92C40: Biochemistry, molecular biology

82-01: Introductory exposition (textbooks, tutorial papers, etc.) pertaining to statistical mechanics

82-04: Software, source code, etc. for problems pertaining to statistical mechanics

Uses Software

• Matlab
• Octave
• Gromacs
• CHARMM
• LINCS
• DL_POLY