- Department of Chemistry
Charles W. Fotis Assistant Professor of Chemistry
Pearson Chemical Laboratory
Postdoctoral fellow, 2017-2020, California Institute of Technology, Pasadena, CA
Humboldt fellow, 2013-2016, Mulliken Center for Theoretical Chemistry, Bonn, Germany
PhD, Yale University, New Haven, CT, 2013
MS/BA, Sofia University, Sofia, Bulgaria, 2008
Quantum dynamics and electronic structure of systems with applications in quantum computing and quantum sensing; development and implementation of methods for non-equilibrium quantum dynamics.
The quantum-mechanical motion of atoms and electrons is at the heart of the quantum information and energy conversion technologies. The operation of quantum computers, the measurement of tiny, nanoscale objects, catalysis at surfaces, and harnessing of novel energy sources all require an in-depth understanding of the quantum dynamics that govern the flow of energy and information. We develop and apply new theoretical methods to simulate and understand quantum systems and processes at the forefront of the quantum and energy technologies. Our research focuses on the theoretical description of emergent platforms for quantum sensing and computing, such as color centers in insulators and semiconductors, and single-molecule magnets and their assemblies. We also explore how molecules interact with the surfaces of superconductors and novel materials with exotic electronic structure like topological insulators to drive new chemical reactions.
Selected Honors and Awards
German Research Foundation Postdoctoral Fellowship, 2017 – 2019
Alexander von Humboldt Postdoctoral Fellowship, 2014 – 2016
Richard Wolfgang Prize, Yale University, 2013
Dean’s Distinction Award, Sofia University, 2008
Valedictorian of Bachelor Class Award, Sofia University, 2006
Selected Publications and Presentations
Real-Time Density-Matrix Coupled-Cluster Approach for Closed and Open Systems at Finite Temperature, P. Shushkov and T. F. Miller III, J. Chem. Phys., 2019, 151, 134107.
Direct Dioxigen Evolution in Collisions of Carbon Dioxide with Surfaces, Y. Yao, P. Shushkov, T. F. Miller III, and K. P. Giapis, Nature Communications, 2019, 10, 2294.
Synthesis and Dynamics of Nanosize Phenylene-Ethynylene-Butadiynylene Rotaxanes and the Role of Shape Persistence, C. Schweez, P. Shushkov, S. Grimme, and S. Höger, Angew. Chem. Int. Ed.,
2016, 55, 3328.
On the Connection of Semiclassical Instanton Theory with Marcus Theory for Electron Transfer in Solution, P. Shushkov, J. Chem. Phys., 2013, 138, 224102.
Ring Polymer Molecular Dynamics with Surface Hopping, P. Shushkov, R. Li, and J. C. Tully, J. Chem. Phys., 2012, 137, 22A549.