Difference between revisions of "Predictive Chemistry:Current events"
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| + | * Thursday, July 28, 2018: Would have presented "Maximum Entropy Closure for Nonequilibrium Statistical Mechanics" at the [https://nesmcq18.sciencesconf.org New Trends in Nonequilibrium Statistical Mechanics: Classical and Quantum Systems] Conference except American Airlines [https://predictivestatmech.org/code/AAfail.jpg Delayed] all flights to Miami for 6 hours while (unrelated) one of their planes in Philadelphia [https://pic.twitter.com/zdWHVAzlYC pissed all over the runway]. It's a bad day for American Air. |
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| + | * Tuesday, July 17, 2018: David M. Rogers presents "[https://predictivestatmech.org/papers/tsrc2018.pdf Fixing Nonlocality in the Primitive Model]" at the TSRC Workshop on Ions in Biology. |
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| + | * Friday, May 4, 2018: David M. Rogers presents "[https://predictivestatmech.org/papers/jazz.pdf Jazz, Evolution, and Trillion Dollar Problems]" at Florida ACS Meeting & Exhibition. |
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| + | * Thursday, March, 22, 2018: David M. Rogers presents "[https://predictivestatmech.org/papers/acs2018.pdf Finite size effects in simulations of molecular Joule-Thomson flow]" at the ACS Spring Meeting in New Orleans. |
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| + | * March 5-9, 2018: David M. Rogers presents "[https://predictivestatmech.org/papers/aps2018.pdf Quantum Nonequilibrium Statistical Mechanics Meets the Measurement Problem]" at the APS March Meeting in Los Angeles. |
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| + | * Wednesday, Sept. 27, 2017: Family Science Night! |
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| + | * Thursday, August 31, 2017: David M. Rogers presents "Demystifying Nonequilibrium Statistical Mechanics" at the U. Pittsburgh Chemistry Seminar Series. |
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| + | * May 6, 2017: David M. Rogers presents "Quantum Thermodynamics by Repeated Measurement" at the Florida ACS Meeting & Exposition (FAME2017) and Guy W. Dayhoff II presents "Driving Forces in MD Simulations of Transition and `Free' Flows". |
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| + | * March, 2017: David M. Rogers was honored with [http://dx.doi.org/10.1063/1.4978399 JCP's top reviewer award] for 2016! |
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| + | * Feb. 17, 2017: David M. Rogers presents "Demystifying Nonequilibrium Statistical Mechanics" at the USF Physics Colloquium. |
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| + | * September 14, 2016: David M. Rogers presents "A moment generating function for flows in open quantum systems" at the [http://www.df.unipi.it/~elze/DICE2016.html International Conference for Spacetime, Matter, and Quantum Mechanics]. |
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| + | * 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. |
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| + | * July 7-8, 2016: David M. Rogers presents "The quantum mechanics of Jaynes" at the LANL Quantum Lunch. |
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| + | * March 13-17, 2016: David M. Rogers presents "The Quantum Andersen Thermostat," at the 2016 ACS Spring Meeting. |
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| + | * 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. |
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| + | * Monday, Jan 11, 2016: USF Spring 2016 semester classes begin. |
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| + | * 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. |
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| + | * Monday, September 14, 2015, Invited Presentation, "Understanding the origins of irreversibility: electrical driving and the second law.," Tulane Department of Chemistry. |
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| + | * July 27-30, 2015 Travel to DOE Comp. Sci. Graduate Fellowship Program Review in Arlington, VA. |
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| + | * June, 2015: JCTC Publishes our [http://pubs.acs.org/doi/abs/10.1021/acs.jctc.5b00357 article] on "Dispersion- and Exchange-Corrected Density Functional Theory for Sodium Ion Hydration" |
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| + | * Wednesday, May 13, 2015: David M. Rogers presented "Spatiotemporal Concentration-Polarization Induced pH Changes at Ion-Selective Membranes." at the [https://www.cbdstconference.com/agenda Chemical and Biological Defense Sci. & Tech. conference] in St. Louis, MO. |
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| + | * Friday, May 8, 2015: David M. Rogers presented "Where do Quanta Come From?" at the Florida ACS Meeting and Exhibition ([http://fame2015.fl-acs.org/ataglance.html FAME]). |
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| + | * April, 2015: [http://scitation.aip.org/content/aip/journal/jcp/142/7/10.1063/1.4907404 Real-Space Quadrature paper] was published as a cover article by JCP. |
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* Wednesday, Mar. 4, 2015: David M. Rogers presented "[http://meetings.aps.org/Meeting/MAR15/Session/M44.9 Thermodynamics of Maximum Transition Entropy for Quantum Assemblies]." at the APS March Meeting in San Antonio, TX. |
* Wednesday, Mar. 4, 2015: David M. Rogers presented "[http://meetings.aps.org/Meeting/MAR15/Session/M44.9 Thermodynamics of Maximum Transition Entropy for Quantum Assemblies]." at the APS March Meeting in San Antonio, TX. |
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* Saturday, Nov. 22 2014: USF and neighboring universities are hosting a [http://predictivestatmech.org/papers/MRI-flyer.pdf Scientific Computing Workshop] for undergraduates. Follow the instructions in the flyer to sign up by Nov. 11! |
* Saturday, Nov. 22 2014: USF and neighboring universities are hosting a [http://predictivestatmech.org/papers/MRI-flyer.pdf Scientific Computing Workshop] for undergraduates. Follow the instructions in the flyer to sign up by Nov. 11! |
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* Thursday, Oct. 16: David M. Rogers presented "[http://predictivestatmech.org/papers/real-poles.pdf Real-space quadrature: A convenient, universal representation for multipole expansions]." at the Southeast Regional Meeting of the ACS in Nashville, TN. |
* Thursday, Oct. 16: David M. Rogers presented "[http://predictivestatmech.org/papers/real-poles.pdf Real-space quadrature: A convenient, universal representation for multipole expansions]." at the Southeast Regional Meeting of the ACS in Nashville, TN. |
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| − | * Friday, Aug. 29 2014: Felipe Zapata joins the group |
+ | * 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 [[CompSciFall2014|Introduction to Scientific Computing]]! |
* Monday, Aug. 25 2014: USF Autumn Semester First Day of Classes - don't forget to sign up for [[CompSciFall2014|Introduction to Scientific Computing]]! |
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* Monday, Aug. 18 2014: David M. Rogers presented an invited talk "pH Dynamics During Concentration Polarization," to the [http://www.pnnl.gov/computing/cm4/ CM4 Mathematics for Mesoscopic Materials Modeling Group]. |
* Monday, Aug. 18 2014: David M. Rogers presented an invited talk "pH Dynamics During Concentration Polarization," to the [http://www.pnnl.gov/computing/cm4/ CM4 Mathematics for Mesoscopic Materials Modeling Group]. |
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Latest revision as of 11:43, 15 October 2018
- Thursday, July 28, 2018: Would have presented "Maximum Entropy Closure for Nonequilibrium Statistical Mechanics" at the New Trends in Nonequilibrium Statistical Mechanics: Classical and Quantum Systems Conference except American Airlines Delayed all flights to Miami for 6 hours while (unrelated) one of their planes in Philadelphia pissed all over the runway. It's a bad day for American Air.
- Tuesday, July 17, 2018: David M. Rogers presents "Fixing Nonlocality in the Primitive Model" at the TSRC Workshop on Ions in Biology.
- Friday, May 4, 2018: David M. Rogers presents "Jazz, Evolution, and Trillion Dollar Problems" at Florida ACS Meeting & Exhibition.
- Thursday, March, 22, 2018: David M. Rogers presents "Finite size effects in simulations of molecular Joule-Thomson flow" at the ACS Spring Meeting in New Orleans.
- March 5-9, 2018: David M. Rogers presents "Quantum Nonequilibrium Statistical Mechanics Meets the Measurement Problem" at the APS March Meeting in Los Angeles.
- Wednesday, Sept. 27, 2017: Family Science Night!
- Thursday, August 31, 2017: David M. Rogers presents "Demystifying Nonequilibrium Statistical Mechanics" at the U. Pittsburgh Chemistry Seminar Series.
- May 6, 2017: David M. Rogers presents "Quantum Thermodynamics by Repeated Measurement" at the Florida ACS Meeting & Exposition (FAME2017) and Guy W. Dayhoff II presents "Driving Forces in MD Simulations of Transition and `Free' Flows".
- March, 2017: David M. Rogers was honored with JCP's top reviewer award for 2016!
- 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.
- March 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.
