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Stay up to date with the happenings of the Gagliardi group!

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People and Events

Gagliardi group hosts a summer visiting scholar!

Ph.D. student, Eva Vos of the Department of Chemistry at Universidad Autonoma de Madrid in Spain, joins the group as a visiting scholar during Summer 2019 to collaborate with Gagliardi Group members. Welcome Eva!</p>

April 2019 People and Events

Sam Stoneburner has received the 2018-19 Overend Award.

Group member, Sam Stoneburner has received the 2018-19 Overend Award in Physical Chemistry in the theory/computation area.This award honors outstanding physical chemistry graduate student researchers and is named after Professor John Overend who was a physical chemist in the Department of Chemistry from 1960 to 1984.

People and Events

Benjamin Yeh has received a NSF Graduate Research Fellowship .

Benjamin Yeh, co-advised by Laura Gagliardi and Aditya Bhan, has received a fellowship in the highly competitive National Science Foundation (NSF) Graduate Research Fellowship Program (GRFP).His research focuses on measuring the kinetics and determining the reaction mechanism for the oligomerization of propenes and butenes on nickel-based metal-organic frameworks through experiment and computation.

March 2019 People and Events

Laura gives a lecture at the University of Georgia.

On March 19, Laura gave the 32nd Annual Coulson Lecture at the Center for Computational Quantum Chemistry at the University of Georgia.She received the plaque from Professor Henry F. Schaefer III.

Laura receives Coulson plaque from Professor Henry F. Schaefer III

March 2019 Research and Publications

Thais Scott publishes her first paper!

Graduate student, Thais Scott published her first paper as a member of the group, “A Multireference Ab Initio Study of the Diradical Isomers of Pyrazine. Congratulations!

People and Events

Soumen Ghosh has been awarded a Humboldt Research Fellowship for Postdoctoral Researchers.

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.

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!

People and Events

Joshua Borycz has accepted a position as STEM Librarian at Vanderbilt University.

Former graduate student, Joshua Borycz has accepted a position as STEM Librarian at Vanderbilt University. In this role he will be an advocate for library services to scientific researchers. In addition to teaching both graduate and undergraduate students how to conduct research more efficiently and how to organize and store research data, he will perform research to determine what tools and practices will most help faculty and students succeed in their coursework and research. Congratulations, Josh!

February 2019 People and Events

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!

People and Events

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!

People and Events

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.

People and Events

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.

September 2018 People and Events

Laura elected member of Academia Europaea!

Laura has been elected a Member of Academia Europaea. Academia Europaea members are scientists and scholars who collectively aim to promote learning, education, and research. Founded in 1988, Academia Europaea has about 3,800 members who include leading experts from the physical sciences and technology, biological sciences and medicine, mathematics, the letters and humanities, social and cognitive sciences, economics, and the law. The Academy organizes meetings and workshops, provides scientific and scholarly advice (one of the 5 pan-European organisations recently invited by the European Commission to participate in the new Scientific Advice Mechanism – SAM) and publishes the European Review.

August 2018 People and Events

Michelle Anderson participated in the Summer Undergraduate Research Fellowship (SURF) program.

Undergraduate researcher, Michelle Anderson participated in the Summer Undergraduate Research Fellowship (SURF) program at NIST Boulder.While there, she worked on comparisons of different force fields for viscosity simulations of small molecules. The SURF Program is designed to inspire undergraduate students to pursue careers in STEM through a unique research experience that provides an opportunity to gain valuable, hands-on experience, working with cutting edge technology in one of the world’s leading research organizations. Congratulations to Michelle.

June 2018 People and Events

Soumen Ghosh successfully defended his doctoral thesis!

On June 22, Gagliardi group graduate student, Soumen Ghosh, (co-advised by Chris Cramer) successfully defended his doctoral thesis, “Static and Dynamic Charge and Energy Transport in Organic Electronics.”Dr. Ghosh will head next to a postdoctoral position at the Max Planck Institute to work with Frank Neese. We wish him all the best as he transitions to his next professional undertaking!