Formation of H3+ in a Strong Laser Field

Check out our most recent collaborative effort with the Dantus group, published in Scientific Reports.  This paper describes a combined experimental and theoretical study of the mechanisms of H3+ formation from methanol in a strong laser field.  Two different mechanisms were observed in AIMD simulations at the full-valence CAS level (carried out by Muath using Scott’s GPU-accelerated CAS code).

Also check out this awesome video on this work, created by Dantus-group undergraduate Patrick Pawlaczyk.

Welcome, Dmitry!

Welcome to Dmitry Fedorov, who joins our group as a postdoctoral researcher!  Dmitry earned his Ph.D. working with Sergey Varganov at University of Nevada, Reno, where he implemented ab initio multiple spawning dynamics with spin-orbit coupling.

Ben Promoted to Associate Prof. with Tenure

Effective tomorrow, July 1, I (Ben) will be an associate professor with tenure.  Many thanks to all of my friends and colleagues at MSU and elsewhere.

An especially big thanks to the students whose hard work and creative problem solving were responsible for the science our team has done over the last six years.

And another especially big thanks to Carol and Mark for their support and patience.

Welcome, Fardowsa!

Fardowsa Omar, a recently graduated high school student form East Lansing, MI, will be working with us this summer.  Fardowsa, who is part of Project SEED, will be investigating the relationship between structure and absorption spectrum in cyanine dyes.  Welcome Fardowsa!

MWTCC has come and gone

The Midwest Theoretical Chemistry Conference took place this week in East Lansing.  Thanks to all who participated!  If you missed it, please check out the scientific program, the poster prize winners, and some pictures of the event.  It was a good time!

Many thanks to our sponsors: PetaChem, JPC, JCP, CORE-CM, the MSU local section of the ACS, the MSU Department of Chemistry, College of Natural Sciences, and Office of the Vice President of Research and Graduate Studies.

Thanks also to my co-organizers, Brenda Franklin, Mary Mroz, and the students who helped with the organization and set up.

I look forward to seeing you next year at the 50th annual MWTCC.  It’s returning to where it all beganUniversity of Chicago!

Welcome, Tiffany!

Tiffany Rivera, an REU student from Cal. State Monterey Bay, has joined our group for the summer.  Tiffany will be studying organic molecules which may serve as redox couples in flow batteries.  Welcome, Tiffany!

Welcome, Andy!

Andy Durden, an incoming graduate student, will be spending the summer doing research in our lab.  Andy will investigate electronic excitations in metal clusters and nanoparticles.  Welcome to the group, Andy!

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