Yuri A. Alexeev, Ph.D.
Affiliations: | 2002 | Iowa State University, Ames, IA, United States |
Area:
Quantum TheoryGoogle:
"Yuri Alexeev"Mean distance: 9.41
Parents
Sign in to add mentor| Mark S. Gordon | grad student | 2002 | Iowa State | |
| (Scalable computational chemistry: New developments and applications.) | ||||
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Publications
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| Dergachev VD, Nakritskaia DD, Alexeev Y, et al. (2023) Analytical nonadiabatic coupling and state-specific energy gradient for the crystal field Hamiltonian describing lanthanide single-ion magnets. The Journal of Chemical Physics. 159 |
| Aprà E, Bylaska EJ, de Jong WA, et al. (2020) NWChem: Past, present, and future. The Journal of Chemical Physics. 152: 184102 |
| Fedorov DG, Li H, Mironov V, et al. (2020) Computational Methods for Biochemical Simulations Implemented in GAMESS. Methods in Molecular Biology (Clifton, N.J.). 2114: 123-142 |
| Kaliakin DS, Fedorov DG, Alexeev Y, et al. (2019) Locating minimum energy crossings of different spin states using the fragment molecular orbital method. Journal of Chemical Theory and Computation |
| Fedorov DG, Brekhov A, Mironov V, et al. (2019) Molecular Electrostatic Potential and Electron Density of Large Systems in Solution Computed with the Fragment Molecular Orbital Method. Journal of Physical Chemistry A. 123: 6281-6290 |
| Mironov V, Moskovsky AA, D'mello M, et al. (2019) An efficient MPI/OpenMP parallelization of the Hartree–Fock–Roothaan method for the first generation of Intel® Xeon Phi™ processor architecture: International Journal of High Performance Computing Applications. 33: 212-224 |
| Mironov V, Alexeev Y, Fedorov DG. (2019) Multithreaded parallelization of the energy and analytic gradient in the fragment molecular orbital method International Journal of Quantum Chemistry. 119 |
| Sanaullah A, Yang C, Alexeev Y, et al. (2018) Real-time data analysis for medical diagnosis using FPGA-accelerated neural networks. Bmc Bioinformatics. 19: 490 |
| Mironov V, Alexeev Y, Mulligan VK, et al. (2018) A systematic study of minima in alanine dipeptide. Journal of Computational Chemistry |
| Pruitt SR, Nakata H, Nagata T, et al. (2016) The Importance of Three-Body Interactions in Molecular Dynamics Simulations of Water Demonstrated with the Fragment Molecular Orbital Method. Journal of Chemical Theory and Computation |