Soumen Ghosh, former graduate student, has been awarded a Humboldt Research Fellowship for Postdoctoral Researchers for his work in Prof. Frank Neese’s group at the Max-Planck-Institut für Kohlenforschung. His goal is to develop accurate and efficient excited state electronic structure methods for open-shell chemical systems. He is developing new excited state methods for open-shell systems based on the similarity transformed equation of motion coupled cluster (STEOM-CC) approach. Conventional coupled cluster methods can only be applied to small and medium size chemical systems. However, the domain based local pair natural orbital (DLPNO) approach, developed recently by Neese and coworkers, have significantly reduced the cost of coupled cluster calculations. Soumen’s excited state methods will be combined with DLPNO approach to make them computationally more efficient. All these methods will be implemented in the computational chemistry software Orca.
Category Archives: People and Events
Nora Planas has accepted a faculty position!
Nora Planas has accepted a faculty position at the University of Wisconsin-Eau Claire, where she will start in the summer of 2014.Nora, it has been great to have you in the group. We look forward to following your successful career at University of Wisconsin-Eau Claire. Congratulations and good luck!
Davide Presti departs for Europe!
Postdoc, Davide Presti will soon return to Europe.It has been great to have you in the group and we wish you the best!
Laura has received the 2019 Award in Theoretical Chemistry from the Physical Chemistry Division of the American Chemical Society (ACS).
She was honored “for her contributions to the development of quantum chemical methods and their application to multireference systems containing metals, relevant to catalysis, and excited states.” With this award the Physical Chemistry Division of the American Chemical Society recognizes the most outstanding scientific achievements of members of the Division. The 2019 recipients will be honored at the fall 2019 ACS National Meeting in San Diego.
Navneet Khetrapal joins Gagliardi group as a post doc!
Navneet Khetrapal, who recently completed his Ph.D. in Computational Chemistry at the University of Nebraska-Lincoln, has joined the group as a postdoc.Welcome, Navneet!
Allison Dzubak accepts a faculty position.
Former graduate student, Allison Dzubak has accepted a faculty position at Bowdoin College.Congratulations, Professor Dzubak!
Jing Xie accepts faculty position!
Jing Xie, a postdoc in the group, will soon depart to begin a faculty position at the Department of Chemistry and Chemical Engineering at Beijing Institute of Technology in Beijing, China.We wish you the very best, Professor Xie!
Dr. Jenny Vitillo accepts assistant professor position.
Dr. Jenny Vitillo will start her independent position as assistant professor at the Università dell’Insubria, Italy.We are sorry to see her go, but this is terrific! Wishing you all the best, Jenny. Keep us posted with your successes.
Gagliardi Group members pass their preliminary examinations.
Second-year graduate students, Riddhish Pandharkar, Thais Scott and Jacob White passed their preliminary examinations.Congratulations to the three of them!
Two graduate students join Gagliardi group!
The group welcomes two graduate students: Saumil Chheda and Benjamin Yeh.We are glad to have you with us.