We’ve enjoyed a very fruitful collaboration with the Dantus group–world-leading experts in laser pulse shaping–for a number of years now. We are very grateful to the NSF for supporting our latest effort to develop strategies to control energy flow in large molecules in the condensed phase through a QLC-EAGER grant. Thanks NSF!
Recent paper on rank-reduced full CI
Better late than never: Check out Scott’s paper in JCTC on rank-reduced full CI. RR-FCI is an approximation to full CI that is scalable up to 30 electrons in 30 orbitals by representing the CI vector as a matrix of reduced rank. This work was a collaboration with the Martinez and Koch groups.
New paper on TD-CI
Check out Wei-Tao and Scott’s paper on our novel GPU-accelerated algorithm for time-dependent complete active space configuration interaction, published in JCTC. It’s fast, and speed aside, time-dependent configuration interaction has many advantages over RT-TDDFT. Nice work guys!