Alexey Kolmogorov (Aleksey)
Office: S2 150
I received my PhD in Physics with a minor in Computer Science from Penn State University in 2004. Before joining the Department in August 2012 I was a Research Fellow at Duke University and a Senior Research Fellow at the University of Oxford.
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 storage applications.
I have developed an automated package MAISE (http://maise-guide.org/) 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. The theory-guided discoveries include the first synthesized superconductor designed fully in silico. For more information about my research and published work please see my webpage.
In 2014 I was awarded a three-year single-PI NSF grant to combine bio-inspired algorithms for acceleration of materials prediction. A machine learning framework based on neural network and evolutionary optimization modules will be implemented in MAISE. The NSF grant will support graduate and undergraduate students.
A PhD position in materials modeling and database development
Multiple undergraduate positions with NSF summer support
Abram Van Der Geest, postdoc
Samad Hajinazar, graduate student
Chris Angyal, undergraduate student
Mustafa Ibrahim, undergraduate student
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
"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)