Chemical Theory Center
January 2020
Meet CTC
Indrani Choudhuri joined the Truhlar group as a postdoctoral researcher in June 2018. Earlier that year, Indrani received her Ph.D. in theoretical and computational chemistry from the Indian Institute of Technology Indore. Her current research interests include photocatalysis with metal-organic frameworks and nanoparticle composites, the performance of newly developed functionals for structural and electronic properties of complex materials, and the use of density functional theory to study electronic, magnetic, and optical properties of complex systems.
Siriluk Kanchanakungwankul is a third-year graduate student in the Truhlar group. She completed her undergraduate and master degrees in chemistry at Mahidol University in Bangkok, Thailand. Her current research uses theoretical and computational chemistry to study the rate of reaction and tunneling of double proton transfer tautomerization of porphycene in both gas phase and on a silver surface. She is also in the initial stages of two theoretical projects involving MOFs: xylene separations and production of Cu(0) catalysts.
Upcoming Events
Friday, January 17, 2020, 4pm, Smith Hall 117/119
Matthew Hermes
Friday, January 24, 2020, 4pm, Walter Library 101
Paul Zimmerman
Bringing Fragmented Waves into Phase: Approaches to Exact Electronic Properties
Latest Publication
Boosting Photoelectric Conductivity in Porphyrin-Based MOFs Incorporating C60
S. M. Pratik, L. Gagliardi, and C. J. Cramer
J. Phys. Chem. C (2020)
DOI: 10.1021/acs.jpcc.9b10834
Opportunities
Postdoctoral Research Associate who will focus on applications many-body quantum Monte Carlo (QMC) methods to explore the properties of functional materials as part of the effort “Extending the Reach of Computational-Theoretical Methods to Materials at the Energy Frontier”. This position is under the supervision of Dr. Fernando Reboredo and resides in the Theory Group in the Materials Science and Technology Division (MSTD), Physical Sciences Directorate (PSD) at Oak Ridge National Laboratory (ORNL). Apply here.
Postdoctoral Fellow - Computational Chemistry, Villanova University (Jorn Group)
The Department of Chemistry at Villanova University and Dr. Ryan Jorn invite applications for a postdoctoral research position in computational chemistry with responsibilities in method development simulating electron and ion transport at electrode interfaces. The position is renewable and also comes with opportunities, but no obligations, for teaching experiences in a primarily undergraduate setting. The area of research is the development of theory and simulations to describe electron/ion transfer in lithium-ion batteries. Hence, lithium-based electrolytes and electrode materials will provide the point of application for the methods developed. Opportunities to pursue independent research interests will also be provided. Apply here.
About us
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