Development and use of force fields in chemistry and biology
Main publications:
D.S. Tarasov, E.D. Izotova, “Common Sense Knowledge in Large Scale Neural Conversational Models”, Advances in Neural Computation, Machine Learning, and Cognitive Research, Selected Papers from the XIX International Conference on Neuroinformatics, Springer, 2017, 39-43
E. D. Izotova, M. A. Rudakova, N. I. Akberova, “The molecular dynamics of silica acids in aqueous solution: Qualitative and quantitative characteristics of oligomers”, Uchenye Zapiski Kazanskogo Universiteta. Seriya Fiziko-Matematicheskie Nauki, 162:1 (2020), 5–26
D. S. Tarasov, E. D. Izotova, D. A. Alisheva, N. I. Akberova, “GPAMM – software package for molecular dynamics on graphical processing units”, Mat. Model., 21:3 (2009), 31–40; Math. Models Comput. Simul., 2:1 (2010), 46–54
D. A. Alisheva, D. S. Tarasov, E. D. Izotova, N. I. Akberova, “Quantum Chemistry Study of Stability of Drexler–Merkle Molecular Nanobearing”, Kazan. Gos. Univ. Uchen. Zap. Ser. Fiz.-Mat. Nauki, 150:4 (2008), 54–65