Klaus J. Schulten
Ph.D., Chemical Physics, Harvard University, 1974
- Research Statement:
- Theory and Simulation of Biopolymer Aggregates
Our research focuses on the structure, dynamics, and function of biopolymer aggregates, e.g., lipds and proteins forming the photosynthetic apparatus in plants that absorbs sun light and produces the energy-rich molecule ATP. The studies require very-large-scale computer simulations and have become possible through the development of statistical mechanical theory, efficient algorithms, graphics tools, a simulation program, and the group's network of powerful workstations which function as a high-performance parallel computer.
MDScope is an integrated set of computational tools which functions as an interactive visual computing environment for the simulation and study of biopolymers. The project implements standard visualization and simulation methods and offers a foundation for testing new algorithms and capabilities.
At the core of MDScope are three major software components:
- VMD - a visualization program for interactive display and animation of molecules;
- NAMD - a parallel, distributed-memory, molecular dynamics program designed to be scalable, modular, and portable;
- MDComm - a protocol and library which functions as the communications agent between VMD and NAMD.
The programs can be used together or independently.
- For more information:
- Klaus Schulten's Personal Homepage
- Schulten Research Group
- Complete list of publications
Honors, Recognition, and Outstanding Achievements:
- Award in Computational Biology, International Society of Quantum Biology and Pharmacology, 2008
- Fellow of the Institute of Advanced Studies, Hebrew University, 1994, 1998-99
- Swanlund Endowed Chair, University of Illinois. 1996, extended in 2008 for five years
- University Scholar, University of Illinois. 1996
- DuPont Young Faculty Award, 1989
- Arnold O. Beckman Award, University of Illinois Center for Advanced Study, 1989