DePrince Group (Spring 2021)
DePrince Group (Fall 2020)
DePrince Group (Spring 2020)
DePrince Group (Fall 2019)
DePrince Group (Summer 2019)
DePrince Group (Spring 2019)
DePrince Group (Summer 2018)
DePrince Group (Fall 2018)
DePrince Group (Fall 2017)
DePrince Group (Summer 2017)



Welcome to the DePrince research group home page!




Group news
  • December 2019: Our collaboration with Xiaosong Li's group on relativistic TD-EOM-CC is out in JCTC!

  • December 2019: Graduate student Sina Mostafanejad has published a paper in PCCP on error quantification in KS-DFT.

  • November 2019: Daniel Nascimento's latest paper on time-dependent EOM-CC theory is out in JCP.

  • November 2019: Wayne Mullinax (and Elvis, Lauren, and Sina) published a paper describing a GPU implementation of the v2RDM-CASSCF method in JCTC. Great work, team!

  • October 2019: Graduate student Nam Vu submitted his first DePrince Group paper! Way to go Nam!

  • August 2019: Rain's paper on the role of orbital angular momentum constraints in the variational optimization of the two-electron reduced-density matrix got accepted in PRA! Check it out!

  • March 2019: Congratulations to our graduate student, Elvis Maradzike for winning the 2019 Jyo Dalal award in physical phemistry. Way to go!

  • January 2019: Wayne's and Sina's papers ended up appearing back-to-back in JCTC! Buckle up for 27 continuous pages of non-stop thrill ride!

  • December 2018: Sina's paper on Combining Pair-Density Functional Theory and Variational Two-Electron Reduced-Density Matrix Methods is published online on JCTC.

  • December 2018: Elvis' paper on Modeling core-level excitations with variationally optimized reduced-density matrices and the extended random phase approximation is published online on Journal of Chemical Physics.

  • November 2018: Check out our Analytic Energy Gradients for Variational Two-Electron Reduced-Density Matrix Methods within the Density Fitting Approximation manuscript on JCTC.

  • October 2018: Graduate student Sina Mostafanejad submitted his first DePrince-group paper! Check out the preprint here.

  • September 2018: Postdoc Wayne Mullinax submitted his first DePrince-group paper! Check out the preprint here.

  • 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!