Recent progress in adaptive-partitioning qm/mm methods for born-oppenheimer molecular dynamics

Quantum Modeling of Complex Molecular Systems

Volumn , Issue , 2015, Pages 93-113

  Pezeshki, Soroosh ^a   Lin, Hai ^a  

^a UNIVERSITY OF COLORADO   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BIOPOLYMERS; MOLECULES;

ADAPTIVE PARTITIONING; BORN-OPPENHEIMER MOLECULAR DYNAMICS; GROTTHUSS MECHANISM; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR GROUPS; RECENT PROGRESS; SOLVENT MOLECULES; TRAJECTORY PROPAGATION;

MOLECULAR DYNAMICS;

EID: 84957013076     PISSN: None     EISSN: None     Source Type: Book    
DOI: 10.1007/978-3-319-21626-3_3     Document Type: Chapter

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