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Predictive Chemistry:Current events

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  • Feb. 17, 2017: David M. Rogers presents "Demystifying Nonequilibrium Statistical Mechanics" at the USF Physics Colloquium.
  • September 14, 2016: David M. Rogers presents "A moment generating function for flows in open quantum systems" at the International Conference for Spacetime, Matter, and Quantum Mechanics.
  • July 12-16, 2016: David M. Rogers presents "A Molecular Approach to Dispersion Energy" at the TSRC Workshop on Ions in Solution: Biology, Energy, and Environment.
  • July 7-8, 2016: David M. Rogers presents "The quantum mechanics of Jaynes" at the LANL Quantum Lunch.
  • Mar. 13-17, 2016: David M. Rogers presents "The Quantum Andersen Thermostat," at the 2016 ACS Spring Meeting.
  • Friday, Feb. 12, 2016: David M. Rogers presents "Angle-free methods for boundary element problems on the sphere: The quadrature basis for spherical harmonics," at the USF Mathematics Department Analysis Lecture Series.
  • Monday, Jan 11, 2016: USF Spring 2016 semester classes begin.
  • Tuesday, December 15, 2015: David M. Rogers presents "Maximum Transition Entropy - A Causal, Canonical Model for Nonequilibrium Statistical Mechanics," at the 114th Statistical Mechanics Conference at Rutgers, New Brunswick New Jersey.
  • Monday, September 14, 2015, Invited Presentation, "Understanding the origins of irreversibility: electrical driving and the second law.," Tulane Department of Chemistry.
  • July 27-30, 2015 Travel to DOE Comp. Sci. Graduate Fellowship Program Review in Arlington, VA.
  • June, 2015: JCTC Publishes our article on "Dispersion- and Exchange-Corrected Density Functional Theory for Sodium Ion Hydration"
  • Wednesday, May 13, 2015: David M. Rogers presented "Spatiotemporal Concentration-Polarization Induced pH Changes at Ion-Selective Membranes." at the Chemical and Biological Defense Sci. & Tech. conference in St. Louis, MO.
  • Friday, May 8, 2015: David M. Rogers presented "Where do Quanta Come From?" at the Florida ACS Meeting and Exhibition (FAME).
  • April, 2015: Real-Space Quadrature paper was published as a cover article by JCP.
  • Wednesday, Mar. 4, 2015: David M. Rogers presented "Thermodynamics of Maximum Transition Entropy for Quantum Assemblies." at the APS March Meeting in San Antonio, TX.
  • Saturday, Nov. 22 2014: USF and neighboring universities are hosting a Scientific Computing Workshop for undergraduates. Follow the instructions in the flyer to sign up by Nov. 11!
  • Thursday, Oct. 16: David M. Rogers presented "Real-space quadrature: A convenient, universal representation for multipole expansions." at the Southeast Regional Meeting of the ACS in Nashville, TN.
  • Friday, Aug. 29 2014: Felipe Zapata joins the group
  • Monday, Aug. 25 2014: USF Autumn Semester First Day of Classes - don't forget to sign up for Introduction to Scientific Computing!
  • Monday, Aug. 18 2014: David M. Rogers presented an invited talk "pH Dynamics During Concentration Polarization," to the CM4 Mathematics for Mesoscopic Materials Modeling Group.
  • Tuesday, July 8 2014: David M. Rogers presented "What’s Holding Up Multiscale modeling?" at the Telluride, CO workshop for Ions in Aqueous Solutions and Molecular Biology.
  • Friday, May 9 2014: David M. Rogers presented "Jumping from atomistic to continuum simulation of electrochemical driving at interfaces," at the 2014 Florida FAME Conference.[1]
  • January 29th, 2014: David M. Rogers presented "Simulating at the molecular / continuum interface," at the USF Research Computing User's Group Forum [2].
  • Monday, Aug. 26 2013: USF Autumn Semester First Day of Classes
  • Friday, July 12, 2013: Argonne Center for Nanoscale Materials Proposal Deadline
  • Thursday, July 4, 2013: Independence Day - celebrate by supporting EFF
  • Thursday, April 11 2013: David M. Rogers presented "Solute Partitioning and Transport through Natural and Biomimetic Membranes," at the 2013 ACS National Meeting.