Chemical Theory Center

November 2020

The Chemical Theory Center consists of faculty members and their research groups in the Department of Chemistry at the University of Minnesota who carry out a broad range of cutting-edge theoretical chemistry and computational chemistry research.

Meet CTC

Brianna Collins is a fourth-year graduate student in the Goodpaster group. An Arlington, Texas, native, she earned her undergraduate degree in chemistry and mathematics from St. Edward’s University in Austin, Texas. Her research focuses on catalysis for electrochemical systems. In her spare time, Brianna likes to run. “It’s good exercise and a great way to explore the city.” At home, she plays with her cats, experiments in the kitchen, and does art. She adds, “Not that there’s much spare time!”

Read the full profile here.

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Upcoming Events

Friday, November 13, 2020, 4pm, Zoom

Mark Pederson

Triangular Molecular Magnets: Chemical Models for Protons, Qubits, or Quantum Sensors?

CTC members are invited to attend a series of talks on Machine Learning. The following speakers will give guest lectures about their cutting edge work as part of Prof. Stefano Martiniani's CHEN 5595 course. Zoom information will be sent to the CTC list in advance of each talk.

Tuesday, December 1, 11:45am, Zoom

Bingqing Cheng, University of Cambridge

Thursday, December 3, 11:45am, Zoom

Johannes Klicpera, TU Munich

Tuesday, December 9, 11:45am, Zoom

Sam Schoenholz, Google Brain

Thursday, December 10, 11:45am, Zoom

Peter Wirnsberger, Google DeepMind


Postdoctoral Researcher, Institute of Theoretical and Computational Chemistry of the University of Barcelona

The Institute of Theoretical and Computational Chemistry of the University of Barcelona (IQTCUB) is currently accepting applications from post-doctoral researchers who wish to join the project Computational analysis of non-covalent interactions, led by Prof. Santiago Alvarez and Dr Jorge Echeverría. If interested, send a CV, a motivation letter, and the names of two scholars that can provide references to Santiago Alvarez, (, with the subject “MdM postdoc application”. Read more here.

Postdoctoral Researcher, Rutgers University-Newark

The Pavanello Research Group is looking for a highly motivated postdoctoral associate to join as soon as December 2020 or early 2021. The project will involve designing and developing complex Density Functional Theory embedding software, thus, proficiency in Python as well as low-level languages like FORTRAN is required. The successful candidate will (1) develop computational protocols based on density embedding and orbital-free DFT for modeling materials interfaces, liquids and electrochemical setups in and out of equilibrium; (2) co-advise graduate students on computational projects; (3) co-advise undergraduate students on computational projects. Learn more here.

Several Ph.D. Candidate Positions, Molecular Quantum Simulations (MOQS), European Training Network

There are 15 Ph.D. candidate positions available through MOQS. The positions are open from Nov. 1st 2020 to Dec. 1st 2020. Expected starting dates from March 1, 2021 to Oct. 2021. A list of the projects and more information can be found here.

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