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Dunyou Wang

Shandong Normal University


Pipeline to High Performance

Lead Institution
Environmental Molecular Sciences Laboratory
Principal Investigator
David Cowley
Chinook will have a richer variety of compilers, math libraries, and communications libraries installed than MPP2. This is beneficial because there is a larger toolkit available, but burdensome…

Computational Chemical Dynamics of Complex Systems

Lead Institution
University of Minnesota
Principal Investigator
Donald Truhlar
Project type
Capability Research
The objective of this project is to develop and apply innovative high-performance computing techniques and simulation methods in order to address computationally challenging problems in chemical…

Development of Time-Dependent Quantum Reaction Dynamics for Surface Reactions

Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Eric Bylaska
Project type
Large-Scale EMSL Research
We propose to develop multi-dimensional, state-of-the-art time-dependent quantum dynamics (TDQD) computational methods for catalytic surface reactions. Our aim is to obtain accurate initial-state…