Quantum, classical, and multi-scale simulation of silica-water interaction: Molecules, clusters, and extended systems

Journal of Computer-Aided Materials Design

Volumn 13, Issue 1-3, 2006, Pages 161-183

  Cheng, Hai Ping ^a   Wang, Lin Lin ^a,b   Du, Mao Hua ^a,c   Cao, Chao ^a   Wan, Ying Xia ^a   He, Yao ^a   Muralidharan, Krishna ^a   Greenlee, Grace ^a   Kolchin, Andrew ^a  

^a University of Florida ^*  (United States)

^b NATIONAL RENEWABLE ENERGY LABORATORY   (United States)

^c University of Illinois at Urbana Champaign   (United States)

Author keywords

Amorphous silica; Multi scale modeling; Silica cluster; Silica nano wire; Water

Indexed keywords

AMORPHOUS SILICON; COMPUTATIONAL METHODS; COMPUTER SIMULATION; FINITE ELEMENT METHOD; MOLECULAR DYNAMICS; QUANTUM THEORY;

MULTI SCALE MODELING; SILICA CLUSTER; SILICA NANOWIRE; WATER SILICA INTERACTIONS;

FLUID STRUCTURE INTERACTION;

EID: 33749056532     PISSN: 09281045     EISSN: None     Source Type: Journal    
DOI: 10.1007/s10820-006-9009-x     Document Type: Review

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