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Dr. A.KolmogorovAlexey Kolmogorov (Aleksey)

Assistant Professor
Office: S2 150
Phone: 607-777-4360

Personal webpage

Dr. Aleksey Kolmogorov received his PhD in Physics with a minor in Computer Science from Penn State University in 2004. Before joining the Department in August 2012 he was a Research Fellow at Duke University and a Senior Research Fellow at the University of Oxford.

Research Overview

My primary interest is the development and modelling of new materials with ab initio methods. The goal is to identify and realize novel materials with superconducting, superhard, or magnetic properties for use in energy and data storage applications.

I have developed an automated package MAISE ( that uses an evolutionary algorithm to predict new synthesizable crystal structures without any input from experiment. Several predictions have now been confirmed in joint studies with experimentalists in the UK, Germany and China. For more information about my research and published work please see my webpage.

Research Group

PhD position in computational materials modeling

Current members
Abram Van Der Geest, postdoc
Samad Hajinazar, graduate student
Chris Angyal, undergraduate student
Mustafa Ibrahim, undergraduate student

Former members
Andrzej Bil, postdoc at Oxford, currently a Reader at the University of Wrocław, Poland
Sheena Shah, DPhil student at Oxford
Yue Chen, visiting DPhil student at Oxford, currently a postdoc at Columbia, NY

Selected Publications

"Discovery of a superhard iron tetraboride superconductor", H. Gou, N. Dubrovinskaia, E. Bykova, A. A. Tsirlin, D. Kasinathan, A. Richter, M. Merlini, M. Hanfland, A. M. Abakumov, D. Batuk, G. Van Tendeloo, Y. Nakajima, A. N. Kolmogorov, L. Dubrovinsky, Phys. Rev. Lett., 111, 157002 (2013). In the news: APS Viewpoint, BU press release

"Pressure-driven evolution of the covalent network in CaB6",  A. N. Kolmogorov, S. Shah, E. R. Margine, A. K. Kleppe, and A. P. Jephcoat, Phys. Rev. Lett., 109, 075501 (2012)

"Spin waves and revised crystal structure of honeycomb iridate Na2IrO3", S. K. Choi, R. Coldea, A. N. Kolmogorov, T. Lancaster, I. I. Mazin, S. J. Blundell, P. G. Radaelli, Yogesh Singh, P. Gegenwart, K. R. Choi, S.-W. Cheong, P. J. Baker, C. Stock, J. Taylor, Phys. Rev. Lett., 108, 127204 (2012)

"New superconducting and semiconducting Fe-B compounds predicted with an ab initio evolutionary search", A. N. Kolmogorov, S. Shah, E. R. Margine, A. F. Bialon, T. Hammerschmidt, and R. Drautz, Phys. Rev. Lett., 105, 217003  (2010)

Full Publication List

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Last Updated: 2/28/14