A combined molecular simulation-molecular theory method applied to a polyatomic molecule in a dense solvent

• Published in: Condensed Matter Physics
• Date: 2005
• Main Authors: Frink, L.J.D., Martin, M.
• Format: Article
• Language: English
• Published: Інститут фізики конденсованих систем НАН України 2005
• Online Access: https://nasplib.isofts.kiev.ua/handle/123456789/119547
• Journal Title: Digital Library of Periodicals of National Academy of Sciences of Ukraine
• Cite this: A combined molecular simulation-molecular theory method applied to a polyatomic molecule in a dense solvent / L.J.D. Frink, M. Martin // Condensed Matter Physics. — 2005. — Т. 8, № 2(42). — С. 271–280. — Бібліогр.: 25 назв. — англ.

Simulation of small molecules, polymers, and proteins in dense solvents
 is an important class of problems both for processing the materials in liquids
 and for simulation of proteins in physiologically relevant solvent states.
 However, these simulations are expensive and sa...