Toward accurate coarse-graining approaches for protein and membrane simulations
Chemical bonding in solids: recovering chemical concepts in the realm of infinite periodic structures
Nanotubes with well-defined structure: imogolites
Application of DFT modeling in Fischer–Tropsch synthesis over Co-based catalysts
Structure prediction and its applications in computational materials design
Ab initio global optimization of clusters
About this book
Chemical Modelling covers a wide range of disciplines and this Specialist Periodical Report is the first stop for any materials scientist, biochemist, chemist or molecular physicist wishing to acquaint themselves with major developments and current opinion in the applications and theory of chemical modelling. The topics covered are wide ranging with authors writing on clusters to modelling nanotubes and dynamics. Containing both comprehensive and critical reviews, this volume is an essential resource and convenient reference for any research group active in the field or chemical sciences library.