April 11, 2017

Craig Chapman joins faculty at University of New Hampshire

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.


April 9, 2017

David Williams-Young wins MolSSI Software Fellowship

Congratulations to David on winning the MolSSI Software Fellowship. This will support David’s continuing software development efforts.


March 28, 2017

Probing Curiously Long-Lived Coherent States in Bimetallic Pt (II) Clusters

Coherence between electronic states occurs when at least two time-evolving eigenstates form a superposition state by linear combination and the frequencies of the two states feature a constant phase difference. The simplest representation is the coherence between two eigenstates although in principle an infinite number of states may be in coherent superposition. However, an event […]


March 16, 2017

Three 2nd year students passed their exams

Congratulations to Joe Kasper, Jay Radler, and Shichao Sun on passing their 2nd year exams this quarter. They’re one step closer to their PhDs!


December 7, 2016

Can Quantized Vibrational Effects be Obtained from Ehrenfest Mixed Quantum-Classical Dynamics?

An interesting question is whether or not mean-field or “Ehrenfest” mixed quantum-classical dynamics can capture the quantized vibrational features in photoabsorption spectra that result from infrared and Raman-active vibrational transitions. We show that vibrational and electronic absorption spectra can be obtained together within a single Ehrenfest simulation. The electronic transitions show new sidebands that are […]