Chemical Theory Center

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 is a series of interviews conducted with members of the Chemical Theory Center. Each profile will feature the scientist’s research and its real world applications, along with their life outside of academia.

Born and raised in Atlanta, Georgia, Iain Schmitt is a fourth-year honors undergraduate student majoring in chemical engineering and minoring in chemistry. He works as a research assistant in the Siepmann group. Iain's main project is modeling the separation of ethanol from a biofuel fermentation broth through a technique called liquid-liquid extraction. The energy industry is looking for alternatives to petroleum that are more sustainable and produce fewer greenhouse gas emissions-ethanol fits these criteria. Since it is produced from biomass, such as plants, it is renewable. It also burns cleaner than petroleum, reducing the amount of air pollution.

Read the full profile

Friday, February 21, 2020, 4pm, Walter Library 101

James Shepherd

Finite size effects in wavefunction theory for solids and electronic temperature in configuration space quantum Monte Carlo

Friday, March 20, 2020, 4pm, Walter Library 101

Gerald Knizia

Revealing the chemistry in quantum chemistry: from bonding in diatomics to reactions of enzyme active sites

Scaling exchange and correlation in the on-top density functional of multiconfiguration pair-density functional theory: effect on electronic excitation energies and bond energies

D. Presti, J. Kadlec, D. G. Truhlar, and L. Gagliardi

Theor. Chem. Acc. (2020)

DOI: 10.1007/s00214-019-2539-6

Computational Chemistry Faculty Position at UGA/CCQC

The University of Georgia (UGA) Department of Chemistry invites applications for a tenure track faculty position in computational chemistry, beginning August 1, 2020, at the level of Assistant or Associate Professor. Tenure upon appointment is possible at the associate level. All areas of computational chemistry will be considered, but priority will be given to candidates whose research interests complement existing expertise in the Center for Computational Quantum Chemistry (CCQC) and who can engage in collaborations with faculty within the Department of Chemistry and other units across campus. Apply here.

Lecturer (Assistant professor, tenure-track) at University College London

To be based in the Department of Physics and Astronomy and the UCL Institute for the Physics of Living Systems with strong links to the Faculty of Life Sciences. We aim to recruit exceptional early-career researchers working at the interface of physics and biology, and next to support them in an environment that fosters academic excellence, creativity and innovation, facilitating their transition to an independent research career. More can be found here (deadline March 23).

Associate Professor in computational materials physics at University College London

To be based in the Department of Physics and Astronomy and Thomas Young Centre for Materials Modeling . Applications are welcome from candidates whose research will strengthen the present Departmental interests and diversify them into new areas, such as physics of smart, reconfigurable and/or degradable materials, development and applications of rare events simulations, machine learning, and big data methods in materials physics. The position is suitable for candidates who already have some independent research experience (such as associate professors, junior group leaders, independent fellows, or equibvalent). More here. (deadline March 7)

Email: ChemicalTheory@umn.edu
Website: http://z.umn.edu/chemtheory
Location: 207 Pleasant Street Southeast, Minneapolis, MN, USA
Phone: 612-301-1491
Facebook: facebook.com/ChemicalTheory
Twitter: @UMNChemTheory