We describe a method for performance analysis of large software systems that combines a fast instruction-set simulator with off-line detailed analysis of segments of the execution...
The understanding of H diffusion in materials is pivotal to designing suitable processes. Though a nudged elastic band (NEB)+molecular dynamics (MD)/quantum mechanics (QM) algori...
Abstract. EEMAS environment is a problem-solving environment for multidisciplinary application simulations. Within the EEMAS, there are four categories of modules involved, namely ...
Lijun Xie, Yao Zheng, Jifa Zhang, Xin Huang, Zheng...
1 Biological processes occurring inside cell involve multiple scales of time and length; many popular theoretical and computational multi-scale techniques utilize biomolecular simu...
The UNIC code is being developed as part of the DOE’s Nuclear Energy Advanced Modeling and Simulation (NEAMS) program. UNIC is an unstructured, deterministic neutron transport c...
Dinesh K. Kaushik, Micheal Smith, Allan Wollaber, ...