Strategies for multiscale modeling and simulations of organic materials: Polymers and biopolymers

Computational and Theoretical Polymer Science

Volumn 11, Issue 5, 2001, Pages 329-343

  Goddard III, William A ^a   Cagin, Tahir ^a   Blanco, Mario ^a   Vaidehi, Nagarajan ^a   Dasgupta, Siddharth ^a   Floriano, Wely ^a   Belmares, Michael ^a   Kua, Jeremy ^a   Zamanakos, Georgios ^a   Kashihara, Seichi ^a   Iotov, Mihail ^a   Gao, Guanghua ^a  

^a California Institute of Technology   (United States)

Author keywords

Force field; Molecular dynamics; Quantum mechanics

Indexed keywords

BIOPOLYMERS; DIFFUSION IN GASES; MOLECULAR DYNAMICS; PHASE TRANSITIONS; RHEOLOGY; THERMAL CONDUCTIVITY;

CONTINUUM SOLVATION;

POLYMERS;

POLYMER;

EID: 6644229753     PISSN: 10893156     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1089-3156(01)00025-3     Document Type: Article

References (88)

1. Thermal conductivity of diamond from NEMD
2. Glass formation and crystallization in Ni:Cu and Cu:Ag alloys
3. WHATIF: A molecular modeling and drug design program