May 15, 2017
Time-resolved Raman spectroscopy has proven useful for studying the formation of polarons in conjugated polymers, verifying the presence of reactive intermediates in photochemical reactions, investigating nonradiative transitions in the short lifetime of the photoexcited species, and resolving electron−phonon coupling strengths and exciton dissociation in crystalline materials. We extended the recently published transient vibrational analysis to […]
May 15, 2017
With the recent (yet to be published) work by us and collaborators at Gaussian on the efficient implementation of the analytic TDDFT energy Hessians, it is possible to perform calculations of excited-state infrared spectra of medium-large isolated molecular systems, with anharmonicity effects included in both the energy and property surfaces. We also explore the use […]
May 12, 2017
Congratulations to David on winning the ACS Chemical Computing Award! This honor is given in recognition of impactful computational research. He will attend the next national ACS meeting to present a poster detailing his recent work.
April 24, 2017
The group is happy to announce 2 recent weddings! Congratulations to our two postdocs Alessio Petrone and Greta Donati. Congratulations to graduate student Hongbin Liu and his wife Jingyi Ren.
April 11, 2017
Congratulations to former group member Craig Chapman on joining the faculty at the University of New Hampshire! Craig was a postdoc in the group some years ago and we’re happy to see him going on to bigger and better things.