November 12, 2015

Chronus Quantum Initial Beta Release

We are pleased to announce that the Beta version of Chronus Quantum is now available on GitHub! All are encouraged to obtain a copy of the code to aid in the open source, community-driven development of the this software package. Chronus Quantum is an ab initio computational chemistry software package that focuses on explicitly time-dependent […]

November 12, 2015

Imaging Excited Orbitals with STM

Working with Prof. Martin Gruebele at the University of Illinois, we showed that it is possible to capture nanometer resolution images of electronically excited PbS quantum dots, using a combination of single molecule absorption and scanning tunneling microscopy (SMA-STM). Usually STM can only image ground state electron density. Transient or steady-state absorption spectroscopy can access […]

November 9, 2015

Lestrange and Lingerfelt present their research to the Seattle ARCS Foundation

Earlier today, David Lingerfelt and Patrick Lestrange presented their research to the Seattle chapter of the ARCS Foundation. The Advancing Science in America (ARCS) Foundation awards numerous fellowships and scholarships throughout the country every year. David and Patrick joined other fellows with funding from UW’s Clean Energy Institute to present their research while ARCS members […]

November 3, 2015

Joshua Goings wins the ACS Chemical Computing Group Award

Congratulations, to Josh for winning the Chemical Computing Group (CCG) and the American Chemical Society’s (ACS) Division of Computers in Chemistry (COMP) Excellence Award for the Sprint 2016 ACS National Meeting in San Diego. He will receive financial support to present his poster about modeling magnetic circular dichroism using real-time molecular dynamics during the COMP […]

October 13, 2015

Two by Two: New papers on two-component methods are now online

The group has recently been investigating non-collinear two-component methods and two new publications in this area are now online. This is an exciting direction for the group that allows us to model phenomena that is impossible to capture with collinear methods such as restricted and unrestricted Hartree-Fock and DFT. One paper focuses on the linear […]