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!! .