Difference between revisions of "Predictive Chemistry:Current events"
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* July 27-30, 2015 Travel to DOE Comp. Sci. Graduate Fellowship Program Review in Arlington, VA. |
* 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. |
* 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]). |
* 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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Revision as of 14:51, 13 July 2015
- 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.
