Tim Kowalczyk , PhD

Associate Professor

Research Interests

Our research focuses primarily on organic materials that combine light-absorbing and electrically conducting components in a single package. We develop and apply computational strategies rooted in quantum mechanics to understand the self-assembly and electronic properties of these materials. We are also interested in predictive models of photostability: how long will an organic dye integrated into a device operate before it is photodamaged? We are developing a simulation framework based on density functional tight binding which will allow us to identify and control key degradation pathways.

Educational & Professional Experience

B.S. Chemistry and Mathematics, University of Southern California, 2007

Ph.D. Physical Chemistry, Massachusetts Institute of Technology, 2012

JSPS Postdoctoral Fellow, Nagoya University, 2012-2014

Selected Awards & Honors

National Science Foundation Faculty Early Career Development (CAREER) Award, 2019

OpenEye Outstanding Junior Faculty Award in Computational Chemistry, Fall 2018

Research Corporation for Science Advancement Cottrell Scholar Award, 2018

Snohomish PUD Professor of Energy Studies, 2017-2018

Recent Publications

B. Hourahine et al., including M. Y. Deshaye* and T. Kowalczyk (2020) DFTB+, a software package for efficient approximate density functional theory based atomistic simulations. J. Chem. Phys., 152, 124101.

R. Nozawa, J. Kim, J. Oh, A. Lamping*, Y. Wang, S. Shimizu, I. Hisaki, T. Kowalczyk, H. Fliegl, D. Kim, H. Shinokubo (2019) Three-dimensional aromaticity in an antiaromatic cyclophane. Nat. Commun., 10, 3576.

P. Spaltenstein*, E. J. Cummins*, K.-M. Yokuda*, T. Kowalczyk, T. B. Clark, G. W. O'Neil (2019) Chemoselective carbonyl allylations with alkoxyallylsiletanes. J. Org. Chem. 84, 7, 4421-4428.

P. M. Cheung*, K. T. Burns*, Y. M. Kwon*, M. Y. Deshaye*, K. J. Aguayo*, V. F. Oswald, T. Seda, L. N. Zakharov, T. Kowalczyk, J. D. Gilbertson (2018) Hemilabile Proton Relays and Redox-Activity Lead to {FeNO}x and Significant Rate Enhancements in NO2- Reduction. J. Am. Chem. Soc. 140, 17040-17050.