'Atomistic' presentation slideshows

VAGELIS HARMANDARIS

Hierarchical Multi-scale Modeling of Polymers under Equilibrium and Non-equilibrium conditions: Computational and Mathematical Aspects. VAGELIS HARMANDARIS ACMAC Workshop: Coarse-graining of many-body systems: analysis, computations and applications Crete, 01/07/2011. Outline.

1.19k views • 101 slides

Atomistic modelling 2: Multiscale calculations

Roy Chantrell Physics Department, York University. Atomistic modelling 2: Multiscale calculations. Thanks to. Denise Hinzke, Natalia Kazantseva, Richard Evans, Uli Nowak, Chris Bunce, Jing Wu Physics Department University of York

797 views • 58 slides

NEGF Method: Capabilities and Challenges

546 views • 46 slides

NEGF Method: Capabilities and Challenges

474 views • 46 slides

Coarse grained to atomistic mapping algorithm A tool for multiscale simulations

Coarse grained to atomistic mapping algorithm A tool for multiscale simulations. Steven O. Nielsen Department of Chemistry University of Texas at Dallas. Outline. Role of inverse mapping in Multiscale simulations Validation of coarse grained (CG) models CG force field development

418 views • 23 slides

Modelling Soft Matter

Modelling Soft Matter. Balasubramanian Sundaram Chemistry and Physics of Materials Unit, Jawaharlal Nehru Centre for Advanced Scientific Research, Bangalore. ATIP 1 st Workshop on HPC in India @ SC-09. Current Challenge. Vesicle interacting with a lipid membrane.

306 views • 19 slides