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Lectures and Talks

Below are lectures, talks, and other presentations given by TCB faculty and other group members in meetings and conferences locally and around the world.

Klaus Schulten     Laxmikant Kale     Robert Skeel     Todd Martinez     Other TCB Members

Klaus Schulten

• January 13-15, 2000, La Jolla, CA,  Welcome Foundation meeting, Challenges in the Post-Genomic Sequence Era
  Lecture: "Interactions and mechanisms controlling assembly and function of multiprotein systems in membranes"
   

• February 24-March 1, 2000, Durango, CO,  Keystone Symposia, Macromolecular Assemblies at Work:  Application of Physics, Chemistry, and Mathematics to Biology
  Lecture:   "Interactions and mechanisms controlling assembly and function of multiprotein systems in membranes"
   

• March 8-10, 2000, Arlington, VA,  NSF Workshop Dynamic Data-Driven Application Systems
  Lecture: "Steered computing - a powerful new tool for molecular biology”
   

• March 28, 2000, Juelich Research Center, Germany, Seminar Series
  Lecture: "Steered computing - a powerful new tool for molecular biology"
   

• March 25-30, 2000, Regensburg, Germany, German Physical Society Annual meeting, Symposium Biology and Physics, Plenary Lecture
  Lecture: "Physics of light harvesting in photosynthesis"
   

• April 5-8, 2000, University of York, York, UK, Modeling Biomolecular Mechanism Symposium
  Lecture:  "Steered molecular dynamics to study biopolymer association and stretching"
   

• April 16-17, 2000, University of Illinois, Beckman Institute, Urbana-Champaign, IL, Parallel Molecular Dynamics Development and Use --- Challenges and Opportunities Workshop
  Lecture:  "Steered molecular dynamics - a powerful tool for molecular biology"
   

• April 21 - May 1, 2000, University of Western Australia, Perth, Australia, Master Classes in Molecular Biophysics
  Lecture 1:  "The photosynthetic unit of purple bacteria:  From light absorption to ATP synthesis"
  Lecture 2:  "Modelling and verifying protein structure and function - a case study from   photosynthesis"
  Lecture 3:  (demonstration) "Navigating through proteins:  hands-on graphics"
  Lecture 4:  "Molecular dynamics simulations of the mechanosenstive ion channel" 
  Lecture 5:  "How to do molecular dynamics simulations, exemplified for the mechanosensitive channel"
  Lecture 6:  (demonstration) "Exploring ion channels and other membrane proteins through molecular graphics"
  Lecture 7:  “Atomic force microscopy in vivo,  in vitro, and insilico"
  Lecture 8:  “Analysis of molecular dynamics simulations"
  Lecture 9:  (demonstration) "Animation of molecular dynamics simulations"
  Lecture 10:  "Diffusion effects in MRI and MRI Microscopy"
  Lecture 11  "Stochastic quantum systems rule biomedicine"
   

• May 10, 2000, University of California, San Diego, Computational Sciences Seminar Series Keynote Speaker
  Lecture:  "Steered computing - a powerful new tool for molecular biology"
   

• June 6, 2000, Heidelberg, Germany, Workshop Innovations in Biochemical Visualization
  Lecture:  "Visual and steered molecular dynamics"
   

• June 6-11, 2000, Espoo, Finland, Sigrid Juselius Symposium, The Currents of Life -Electron and Proton
  Lecture:  “Structure, dynamics and function of the purple membrane from Halobacterium salinarum"
   

• July 5, 2000, Goettingen, Germany, Max-Planck Institute for Biophysical Chemistry Seminar Series,
  Lecture:  "Discovering the mechanical functions of proteins"
   

• July 10, 2000, European Molecular Biology Laboratory, Heidelberg, Germany, EMBL Practical Course on Biomolecular Simulation
  Lecture1:  "Molecular Dynamics and  Visualization"
  Training Course: “Molecular Dynamics with NAMD”
  Lecture 2:  “Steered Molecular Dynamics"
   

• July 13, 2000, Ringberg Castle, Rottach-Egern, Germany, Max Planck Society Workshop Biological Nanosystems
  Lecture:  “Observation and multiscale modeling of biomolecular mechanics:  how proteins pull and DNA coils"
   

• July 25, 2000, NSF Headquarters, Arlingtion, VA, NSF Workshop Force Transduction in Biology
  Lecture: "Observation and simulation to study mechanical properties of proteins"
   

• August 1-3, 2000, Gordon Research Conference on Molecular Electronic Spectroscopy
  Lecture:   "Migration of electronic excitation in photosynthetic chlorophyll-carotenoid aggregates"
   

• August 13-17, Traverse City, MI, Protein Flexibility and Folding Workshop
  Lecture: "Observation and simulation to study mechanical properties of proteins"
   

• August 19-20, 2000, Washington, DC,  ACS Fall National Meeting
  Lecture:  "Proton transport and pumping in the purple membrane of Halobacteria"
   

• August 25-29, 2000, Graduate University of Advanced Studies, Hayama, Japan, Shonan Summer Lectures
  Lecture 1:  "Photosynthesic apparatus in purple bacteria"
  Lecture 2:  "Light harvesting in photosynthesis"
  Lecture 3:  "Electron transfer in photosynthesis"
  Lecture 4:  "From light absorption to ATP synthesis"
  Lecture 5:  "Photosynthesis in Halobacteria/vision"
   

• September 10-14, 2000,  Litschau, Austria, Symposium in Theoretical Chemistry (STC) 2000Plenary Lecture
  Lecture:  "Quantum biology of light harvesting in photosynthesis"
   

• September 14-19, 2000, Szeged, Hungary, 9thInternational Conference on Retinal Proteins
  Lecture:  "Architecture and photodynamics of the purple membrane in a full-scale molecular  dynamics study"
   

• September 21-23, 2000, Washington, DC, SIAM Conference on Computational Science and Engineering, Plenary Lecture
  Lecture:  "Challenges and opportunities for computational biology in the teraflop era"
   

• October 19-21, 2000, Durham, NC, Third Triangle Biophysics Symposium
  Lecture:  “Molecular dynamics investigations of titin and fibronectin unfolding"
   

• October 27-29, 2000, Pittsburgh, PA, NCRR Principle Investigators Meeting
  Lecture: “TheNIH Resource for biomolecular modeling and bioinformatics”
   

• November 2-4, 2000, Washington, DC, 8th Foresight Conference on Molecular Nanotechnology
  Lecture:  "Theory and modeling of biological nanodevices"
   

• November 9-12, 2000, U. Texas Medical School, Galveston, Texas, Frontiers in Structural Biology of Membrane Proteins
  Lecture:  "Molecular dynamics study of rhodopsin, bacteriorhodopsin and the purple membrane"
   

• November 14-15, 2000, Mt. Sinai School of Medicine, New York City, Seventh Nemethy Symposium, New York Academy of Medicine in Manhattan
  Lecture: “Discovering the mechanical functions of proteins”

Laxmikant Kale

• May 1-5, 2000, Cancun, Mexico, IPDPS 2000 Conference, RTSPP and HIPS Workshops
   

• July 27, 2000,  T. J. Watson Research Center, Yorktown Hts. NY, IBM
  Lecture:  "Molecular Dynamics with Parallel Objects"
   

• August 9, 2000, T. J. Watson Research Center, Yorktown Hts. NY, IBM
  Lecture:  "Blue Gene Roundtable Discussion"
   

• November 8, 2000, Dallas, TX, SC'2000 (previously called Intl. conference on Supercomputing)
  Lecture:  "Scalable Molecular Dynamics for Large Biomolecular Systems"

Robert Skeel

• May 15, 2000, Lyon, France, CECAM Workshop
  Lecture: "Stability issues in symplectic integration"
   

• September 2000, Washington, DC, First SIAM Conference on CSE
  Lecture: "Methods for Biomolecular Dynamics"
   

• November 6, 2000, California, Stanford University, SCCM Seminar
  Lecture: "Multigrid methods for classical molecular dynamics"
   

• November 15, 2000, San Diego, California, Scripps Research Institute
  Lecture: "Multigrid methods for classical molecular dynamics"
   

• December 15, 2000, Melbourne, Australia, Latrobe University, National Research Symposium on Geometric Numerical Integration
  Lecture: "Practical Evaluation of modified Hamiltonians"

Todd Martinez

• July 2000, Dresden, Germany
  Lecture: "Photochemistry from First Principles: Advances and Future Prospects, IUPAC Symposium on Photochemistry"
   

• July 2000, Telluride, CO, Theory of Nonadiabatic Dynamics Workshop
  Lecture: "Multiple Spawning Approaches to Nonadiabatic and Tunneling Dynamics"
   

• September 2000, Monterey, California
  Lecture: "Chemical Reaction Dynamics from First Principles, Packard Fellows Meeting"
   

• October 2000, Notre Dame University
  Lecture: "Photochemical Reaction Dynamics from First Principles"
   

• December 2000, Pacifichem, Hawaii, ACS Symposium on New Frontiers in Chemical Reaction Dynamics
  Lecture: "Cis-Trans Isomerization in Photobiology The Green Fluorescent and Photoactive Yellow Proteins"

Other TCB members (includes meetings attended and poster sessions)

• February 2000, New Orleans, LA, Biophysical Society 44th Annual meeting (R. Braun, A. Balae , B. Isralewitz, J. Gullingsrud)
   

• March 2000, Minneapolis, MN, American Physical Society meeting
  Lecture: "Using the theory of elasticity to model the structure of DNA loops" (A. Balaef )
  Lecture: "Pair Excitations, Collective Modes and Gauge Invariance in the BCS - BEC scenario" (I. Kosztin)
   

• April 2000, University of Missouri-Rolla, UMR Association for Computing Machinery (J. Stone)
  Lecture: "VMD - High Performance Molecular Visualization"
   

• April 2000, UIUC, Beckman Institute, ITG Forum (K. Vandivort)
  Lecture: "BioCoRE: A Collaboratory for Structural Biology"
   

• April 2000, Urbana-Champaign, IL, University of Illinois, Molecular and Electronic Nanostructures Seminar Series Nanohour (J. Gullingsrud)
  Lecture: "Molecular Dynamics Studies of the Gating Mechanism of a Mechanosensitive Ion Channel"
   

• May 2000, Urbana-Champaign, IL, University of Illinois, The Fifth International Conference on Human Interaction with Complex Systems (K. Vandivort, R. Brunner)
  Lecture: "BioCoRE and Interactive Molecular Dynamics poster presentation"
   

• June 2000, San Diego, CA, USENIX 2000 Conference (Tim Skirvin)
   

• July 2000, Birmingham, UK, 18th International Congress of Biochemistry and Molecular Biology
  Lecture: "Elastic Rod Model of DNA Loops" (Alexander Balaeff)
   

• August 2000, San Diego, CA, SciComp 2000 Workshop (James Phillips)
   

• September 2000, Washington, DC, First SIAM Conference on CSE
  Lecture 1: "Multigrid N-body solver" (Ismail Tezcan)
  Lecture 2: "Choosing Stepsizes for Molecular Dynamics" (David Hardy)
   

• October 2000, New York, NY, International Workshop on Methods for Macromolecular Modeling
  Lecture: "Choosing Stepsizes for Molecular Dynamics" (David Hardy)
   

• October 2000, Pittsburgh, PA, Collaboratory workshop (Robert Brunner, Kirby Vandivort, David Brandon, Gila Budescu)
   

• November 2000, Bethesda, MD, Foresight Conference
  Lecture: "MD Study of Gold Binding Polypeptides" (Rosemary Braun)
   

• November 2000, Lansing, MI, Central Michigan University
  Lecture: "Simulation of Structure and Function at retinal Proteins" (Emad Tajkhorshid)
   

• November 2000, Dallas, TX, SC 2000
  Lecture: "Scalable Molecular Dynamics for Large Biomolecular Systems" (J. Phillips)
  Lecture: "BioCoRE/Faucets Demonstration" (J. DeSouza)
  Lecture: "Scalable Molecular Dynamics for Large Biomolecular Systems" (R. Brunner)
  Lecture: "Faucets Demonstration" (S. Kumar, J. Unger)
  Lecture: "Namd Presentation" (S. Kumar, J. Unger)
  Lecture: "Scalable Molecular Dynamics for Large Biomolecular Systems" (G. Zheng)