Atomistic multiscale modeling of properties and processes in materials and living systems; analysis of efficiency of new supercomputer technologies

Bragin P., Kuznetsov A.S., Bocharova O., Volynsky P., Arseniev A., Efremov R.G., Mineev K. Probing the effect of membrane contents on transmembrane protein-protein interaction using solution NMR and computer simulations // Biochimica et Biophysica Acta - Biomembranes. 2018. Vol. 1860. No. 12. P. 2486-2498. doi

Priezjev N., Makeev M. Structural transformations and mechanical properties of porous glasses under compressive loading // Journal of Non-Crystalline Solids. 2018. Vol. 500. P. 1-10. doi

Priezjev N., Makeev M. Structural transformations during periodic deformation of low-porosity amorphous materials // Modelling and Simulation in Materials Science and Engineering. 2018

Priezjev N., Makeev M. The influence of periodic shear on structural relaxation and pore redistribution in binary glasses // Physical Review E - Statistical, Nonlinear, and Soft Matter Physics. 2018

Priezjev N. The effect of cryogenic thermal cycling on aging, rejuvenation, and mechanical properties of metallic glasses // Journal of Non-Crystalline Solids. 2018

Priezjev N., Makeev M. Structural relaxation of porous glasses due to internal stresses and deformation under tensile loading at constant pressure // Computational Materials Science. 2018

Priezjev N. Slow relaxation dynamics in binary glasses during stress-controlled, tension-compression cyclic loading // Computational Materials Science. 2018. Vol. 153. P. 235-240. doi

Darvishzadeh T., Bhattarai B., Priezjev N. The critical pressure for microfiltration of oil-in-water emulsions using slotted-pore membranes // Journal of Membrane Science. 2018. Vol. 563. P. 610-616. doi

Norman G., Saitov I., Sartan R. A. Metastable states of warm dense hydrogen // Interfacial Phenomena and Heat Transfer. 2017. Vol. 5. No. 3. P. 165-171. doi

Semyonov V., Timofeev A. Resonant Energy Transfer Between Degrees of Freedom in a Dusty Plasma System // IEEE Transactions on Plasma Sciences. 2018. Vol. 46. No. 5. P. 1855-1858. doi

Norman G., Saitov I. Plasma phase transition in warm dense hydrogen // Contributions to Plasma Physics. 2018. Vol. 58. No. 2-3. P. 122-127. doi

Семенов В. П., Тимофеев А. В. Параметрический резонанс и перенос энергии в пылевой плазме // Математическое моделирование. 2018. Т. 30. № 2. С. 3-17.

Kirova E. M., Pisarev V. The behavior of stress correlations and glass transition temperature in liquid aluminum at cooling and heating process // Journal of Physics: Conference Series. 2018. Vol. 946. P. 012115-1-012115-7. doi

Valeev B., Pisarev V. The equation of state of n-pentane in the atomistic model TraPPE–EH // Journal of Physics: Conference Series. 2018. Vol. 946. P. 1-6. doi

Pisarev V., Zakharov S. A. Comparison of forcefields for molecular dynamics simulations of hydrocarbon phase diagrams // Journal of Physics: Conference Series. 2018. Vol. 946. P. 012100-1-012100-6. doi

Amirov R. K., Lankin A. V., Norman G. Solvation suppression of ion recombination in gas discharge afterglow // Physical Review E - Statistical, Nonlinear, and Soft Matter Physics. 2018. Vol. 97. No. 3. P. 1-7. doi

Kondratyuk N., Norman G., Stegailov V. Quantum nuclear effects in water using centroid molecular dynamics // Journal of Physics: Conference Series. 2018. Vol. 946. No. 012109. P. 1-7. doi

Norman G., Saitov I. Molecules ionization at phase transition in warm dense hydrogen // Journal of Physics: Conference Series. 2018. Vol. 946. No. 012121 doi

Pisarev V., Mistry S. Volume-based mixing rules for viscosities of methane + butane liquid mixtures // Fluid Phase Equilibria. 2018

Nikolskiy V., Stegailov V. Graphics-processing-unit-accelerated finite-difference time-domain simulation of the interaction between ultrashort laser pulses and metal nanoparticles // Journal of Physics: Conference Series. 2018. Vol. 946. No. 012011. P. 1-4. doi

Efremov R., Osmakov D., Koshelev S., Andreev Y., Dubinnyi M., Kublitski V., Sobolevsky A., Kozlov S. Proton-independent activation of acid-sensing ion channel ASIC3 by alkaloid lindoldhamine from Laurus nobilis // British Journal of Pharmacology. 2018. Vol. 175. No. 6. P. 924-937. doi

Reinholz H., Röpke G., Broda I., Morozov I., Bystryi R., Lavrinenko Y. Relaxation and collective excitations of cluster nano-plasmas // Journal of Physics B: Atomic, Molecular and Optical Physics. 2018. Vol. 51. No. 01-4001. P. 1-9. doi

Bocharov E., Lesovoy D., Bocharova O., Urban A., Pavlov K., Volynsky P., Efremov R., Arseniev A. Structural basis of the signal transduction via transmembrane domain of the human growth hormone receptor // Biochimica et Biophysica Acta - General Subjects. 2018. Vol. 1862. No. 6. P. 1410-1420. doi

Gaydukov R. Double-deck structure in the problem of a compressible flow along a plate with small localized irregularities on the surface // European Journal of Mechanics - B/Fluids. 2018. Vol. 71. P. 59-65.

Mishra R. K., Kunhi Mohamed A., Geissbühler D., Manzano H., Jamil T., Shahsavari R., Kalinichev Andrey G, Galmarini S., Tao L., Heinz H., Pellenq R., van Duin A. C., Parker S. C., Flatt R. J., Bowen P. cemff: A force field database for cementitious materials including validations, applications and opportunities // Cement and Concrete Research. 2017. Vol. 102. P. 68-89. doi

Kalinichev A. G. Universality of hydrogen bond distributions in liquid and supercritical water // Journal of Molecular Liquids. 2017. Vol. 241. P. 1038-1043. doi

Priezjev N. The yielding transition in periodically sheared binary glasses at finite temperature // Computational Materials Science. 2018. Vol. 150. P. 162. doi

Kharazmi A., Priezjev N. Molecular dynamics simulations of the rotational and translational diffusion of a Janus rod-shaped nanoparticle // Journal of Physical Chemistry B. 2017. Vol. 121. P. 7133 . doi

Priezjev N. Molecular dynamics simulations of the mechanical annealing process in metallic glasses: Effects of strain amplitude and temperature // Journal of Non-Crystalline Solids. 2018. Vol. 479. P. 42-48. doi