The Ph.D. in Scientific Computing program is intended for students who will make extensive use of large-scale computation, computational methods, or algorithms for advanced computer architectures in their doctoral studies. This seminar series showcases the breadth of research covered by the program. 

Featured Speaker:

Khoi Dang, PhD Candidate, Chemistry and Scientific Computing

Khoi is a 5th year graduate student in the Chemistry Department currently developing electronic structure theory methods in the Zimmerman Group.

Parallel Heat-bath Configuration Interaction

The heat-bath configuration interaction (HBCI) method is a deterministic wave function method that approaches the full CI limit at greatly reduced cost. HBCI consists of two parts: the generation of a variational wave function, followed by a perturbative correction. This work introduces a parallel implementation that is highly scalable and overcomes the memory bottleneck of perturbation theory. The implementation demonstrates 83% parallel efficiency for the perturbative step on 32 nodes.

This event is part of MICDE’s seminar series featuring Ph.D. students in the Scientific Computing program. This series is open to all. University of Michigan faculty and students interested in computational and data sciences are encouraged to attend.

Questions? Email [email protected]