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Multiscale quantum simulations computational approach

FIGURE 1.5 Multiscale modeling in computational pharmaceutical solid-state chemistry. Here DEM and FEM are discrete and finite element methods MC, Monte Carlo simulation MD, molecular dynamics MM, molecular mechanics QM, quantum mechanics, respectively statistical approaches include knowledge-based models based on database analysis (e.g., Cambridge Structure Database [32]) and quantitative structure property relationships (e.g., group contributions models [33a]). [Pg.9]

See other pages where Multiscale quantum simulations computational approach is mentioned: [Pg.336] [Pg.447] [Pg.250] [Pg.168] [Pg.12] [Pg.15] [Pg.718] [Pg.170] [Pg.499] [Pg.479] [Pg.252] [Pg.260] [Pg.579] [Pg.420] [Pg.449] [Pg.385] [Pg.148] [Pg.3] [Pg.398]

See also in sourсe #XX -- [ Pg.381 , Pg.382 , Pg.383 , Pg.384 , Pg.385 , Pg.386 ]

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Computational approaches

Computational simulations

Computer simulation

Multiscale approach

Multiscale simulations

Multiscalers

Quantum Approach

Quantum computation

Quantum computing

Quantum simulation