Yuri Alexeev

Principal Project Specialist - Computational Science
Yury Alekseev

Argonne National Laboratory
9700 S. Cass Avenue
Building 240 - Rm. 1126
Lemont, IL 60439

630-252-0157

 

Yuri Alexeev is a Principal Project Specialist at the Argonne Leadership Computing Facility, where he applies his skills, knowledge and experience for using and enabling computational methods in chemistry and biology for high-performance computing on next-generation high-performance computers. He has a background in quantum chemistry, molecular dynamics, and high performance computing, with specialization in parallelization and optimization of scientific codes. Dr. Alexeev is one of the active developers of GAMESS software package.

Dr. Alexeev’s research interests mostly lie in mathematical modelling and application of cutting edge computer science technology to advance computational sciences. For example, he developed novel load balancing algorithms using linear programming method. He is actively pursuing research opportunities in machine learning, quantum computing, and FPGA applications.

Dr. Alexeev works on the optimization of codes and libraries for Argonne’s supercomputers – IBM BG/Q Mira and Cray XC40 Theta. At ALCF, he provides support, advice, and training for scientific projects in fields related to biology and chemistry. One of his responsibilities is to thread codes using OpenMP and performance optimization.

Dr. Alexeev received his PhD in Physical Chemistry from Iowa State University while a graduate student in Mark Gordon's quantum chemistry group. After graduation, Dr. Alexeev became a postdoctoral fellow at Pacific Northwest National Laboratory and worked in the NWChem group led by Dr. Theresa Windus; later, he joined the Nobel Prize winner Dr. Martin Karplus’ CHARMM group at the Université de Strasbourg and Harvard University.

Representative Publications:
“Power measurements of Hartree-Fock algorithms using different storage devices,” V. Mironov, A. Moskovsky, Y. Alexeev, in Proceedings of the 2017 IEEE International Parallel & Distributed Processing Symposium Workshops (IPDPSW), Orlando, FL, USA, (2017).

“The heuristic static load-balancing algorithm applied to the CESM,” Y. Alexeev, S. Mickelson, S. Leyffer, R. Jacob, A.Craig, in Proceedings of the 2014 IEEE International Parallel & Distributed Processing Symposium Workshops (IPDPSW), Phoenix, AZ, USA, (2014).

“Machine Learning based load-balancing for the CESM,” P. Balaprakash, Y. Alexeev, S. Mickelson, S. Leyffer, R. Jacob, A.Craig, in Proceedings of the 2014 11th International Meeting High Performance Computing for Computational Science (VECPAR), Eugene, OR, USA, (2014).

“Heuristic static load-balancing algorithm applied to the Fragment Molecular Orbital method.” Y. Alexeev, A. Mahajan, S. Leyffer, G. Fletcher, D. G. Fedorov, in Proceedings of the 2012 International Conference for High Performance Computing and Communications (SC12), Salt Lake City, UT, USA, (2012).


Areas of Interest: 
Computational Biology