The DePrince Research Group


                           







Welcome to the DePrince research group home page!


News

  • November 2016: Daniel's time-dependent coupled-cluster paper was chosen as "ACS Editor's Choice" in JCTC!

  • October 2016: Our paper describing the variational optimization of the 2-RDM under pure-state N-representability conditions appeared in the Journal of Chemical Physics.

  • October 2016: Dr. Wayne Mullinax joins the group as a postdoc. Welcome, Wayne!

  • May 2016: Elvis and Lauren both won poster awards at SETCA 2016. Way to go!! .

  • April 2016: Our paper describing large-scale v2RDM-driven CASSCF appeared in the Journal of Chemical Theory and Computation.

  • March 2016: Registration is open for SETCA 2016!

  • May 2015: On the heels of last week's win, Daniel's poster won 3rd prize at SETCA 2015!

  • May 2015: Daniel's poster was voted the best graduate poster at FAME 2015! Way to go, Daniel!

  • April 2015: Jacob submitted his first paper on open-shell variational 2-RDM methods.

  • December 2014: Our paper describing a time-dependent reduced-density-matrix-based electronic structure method appeared in the Journal of Chemical Physics.

  • November 2014: First-year chemistry graduate students Tate Engstrand and Elvis Maridzike joined the group. Welcome!

  • September 2014: Daniel Nascimento's first paper has appeared in the Journal of Chemical Theory and Computation.

  • May 2014: Daniel Nascimento has submitted his first paper!

  • April 2014: Postdoc Jacob Fosso-Tande joins the group!

  • January 2014: Eugene's manuscript with David Sherrill describing a GPU imlementation of DF-CCSD has appeared in Molecular Physics.

  • October 2013: First-year chemistry graduate student Daniel Nascimento joins the group!

  • October 2013: First-year chemistry graduate student David Jeffcoat joins the group!