Klaus Schulten Memorial Symposium

The Symposium will be held on November 7-9, 2017 in the auditorium at the Beckman Institute. More information will be provided at a later date.
“When I was a young man, my goal was to look with mathematical and computational means at the inside of cells, one atom at a time, to decipher how living systems work. That is what I strived for and I never deflected from this goal.”

Klaus Schulten, professor of physics and Beckman Institute faculty member for nearly 25 years, has died after an illness. Schulten, who led the Theoretical and Computational Biophysics Group, was a leader in the field of biophysics, conducting seminal work in the area of molecular dynamics simulations, illuminating biological processes and structures in ways that weren’t possible before. His research focused on the structure and function of supramolecular systems in the living cell, and on the development of non-equilibrium statistical mechanical descriptions and efficient computing tools for structural biology. Schulten received his Ph.D. from Harvard University in 1974. At Illinois, he was Swanlund Professor of Physics and was affiliated with the Department of Chemistry as well as with the Center for Biophysics and Computational Biology; he was Director of the Biomedical Technology Research Center for Macromolecular Modeling and Bioinformatics as well as Co-Director of the Center for the Physics of Living Cells.





Highlights of our Work

Highlight: NAMD 2.12 Delivers Qwik, Quantum, and Cloud

NAMD Goes Quantum

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made with VMD

The 2.12 release of the molecular dynamics program NAMD provides major enhancements in performance, flexibility, and accuracy, complementing the greatly enhanced usability provided by the QwikMD GUI released in VMD 1.9.3. NVIDIA GPU-accelerated simulations with NAMD 2.12 are up to three times as fast as 2.11, particularly for implicit solvent simulations and single-node simulations of smaller systems. NAMD 2.12 is also optimized for the new Intel Xeon Phi KNL processors found in Argonne Theta, NERSC Cori, and TACC Stampede 2. NAMD 2.12 builds on the asynchronous multi-copy scripting capabilities introduced in NAMD 2.11 with the ability to modify and reload the molecular structure, enabling development of grand canonical and constant pH ensemble methods, as well as an optional Python interface for advanced on-the-fly analysis. Finally, NAMD 2.12 provides a complete, no-recompilation-needed interface for hybrid QM/MM with both the semi-empirical code MOPAC and the ab initio/DFT code ORCA. More on new features in the 2.12 release of NAMD can be found here. NAMD is available free-of-charge as source code, precompiled binaries, pre-installed at supercomputer centers, and now jointly with VMD as one-click interactive molecular modeling on the Amazon cloud.
Editorials

The Future of Biomolecular Modeling

A 2015 TCBG Symposium brought together scientists from across the Midwest to brainstorm about what's on the horizon for computational modeling. See a summary of what these experts foresee. Read more

A Look Ahead

The Urbana NIH Center previews what it will propose for the 2017-2022 funding cycle. By Lisa Pollack. Read more

Announcements

J. Phillips and J. Stone, Rock Stars of HPCHybrid QM/MM calculations now available in NAMD 2.12Researchers solve the atomic structure of stalled ribosomeNAMD 2.12 is released

Introducing

Aleksei Aksimentiev, Faculty - Physics

Seminars

  • 01 May 2017 - Yuri Lyubchenko
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