We develop a computational method for simulating models of gel dynamics where the gel is described by two phases, a networked polymer and a fluid solvent. The models consist of tra...
We present a de novo hierarchical simulation framework for first-principles based predictive simulations of materials and their validation on high-end parallel supercomputers and ...
Aiichiro Nakano, Rajiv K. Kalia, Ken-ichi Nomura, ...
Within the field of Criminology, an important challenge is to investigate the spatio-temporal dynamics of crime. Typical questions in this area are how the emergence of criminal h...
State-of-the-art molecular dynamics (MD) simulations generate massive datasets involving billion-vertex chemical bond networks, which makes data mining based on graph algorithms s...
Cheng Zhang, Bhupesh Bansal, Paulo S. Branicio, Ra...
This paper presents a framework called Parallel Experiment Planning (PEP) that is based on an abstraction of how experiments are performed in the domain of macromolecular crystall...
Vanathi Gopalakrishnan, Bruce G. Buchanan, John M....