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Issue Date	Title	Author(s)
2022	Ab Initio Study of the Mechanism of Proton Migration in Perovskite LaScO3	Galashev, A. Y.; Pavlov, D. S.; Zaikov, Y. P.; Rakhmanova, O. R.
2020	Adsorption transition of a grafted ferromagnetic filament controlled by external magnetic fields	Sánchez, P. A.; Novak, E. V.; Pyanzina, E. S.; Kantorovich, S. S.; Cerdà, J. J.; Sintes, T.
2019	Atomistic simulation of PDADMAC/PSS oligoelectrolyte multilayers: Overall comparison of tri- And tetra-layer systems	Sánchez, P. A.; Vögele, M.; Smiatek, J.; Qiao, B.; Sega, M.; Holm, C.
2022	azTotMD 2.0: Molecular Dynamics with the Radiative Thermostat and Temperature-Dependent Force Field (CUDA Version)	Raskovalov, A.; Surkov, P.
2022	Behaviour of a Magnetic Nanogel in a Shear Flow	Novikau, I. S.; Novak, E. V.; Pyanzina, E. S.; Kantorovich, S. S.
2022	Benchmarking the ability of novel compounds to inhibit SARS-CoV-2 main protease using steered molecular dynamics simulations	Singh, R.; Bhardwaj, V. K.; Das, P.; Bhattacherjee, D.; Zyryanov, G. V.; Purohit, R.
2020	Characterisation of the magnetic response of nanoscale magnetic filaments in applied fields	Mostarac, D.; Sánchez, P. A.; Kantorovich, S.
2014	Communication: Kinetic and pairing contributions in the dielectric spectra of electrolyte solutions	Sega, M.; Kantorovich, S. S.; Holm, C.; Arnold, A.
2019	Computational study of lithium intercalation in silicene channels on a carbon substrate after nuclear transmutation doping	Galashev, A.; Ivanichkina, K.; Katin, K.; Maslov, M.
2019	Computer study of the structure and thermal stability of a monolayer mos2 film on a diamond substrate	Galashev, A. Y.; Ivanichkina, K. A.
2016	Cooling rate dependence of simulated Cu64.5Zr35.5 metallic glass structure	Ryltsev, R. E.; Klumov, B. A.; Chtchelkatchev, N. M.; Shunyaev, K. Y.
2022	Deep Machine Learning Potentials for Multicomponent Metallic Melts: Development, Predictability and Compositional Transferability	Ryltsev, R. E.; Chtchelkatchev, N. M.
2019	Deformation behaviour of aluminium nanocrystals under shock-wave loading	Vlasova, A. M.
2020	Diffusion of single active-dipolar cubes in applied fields	Kaiser, M.; Martinez, Y.; Schmidt, A. M.; Sánchez, P. A.; Kantorovich, S. S.
2021	Divalent Multilinking Bonds Control Growth and Morphology of Nanopolymers	Xiong, Y.; Lin, Z.; Mostarac, D.; Minevich, B.; Peng, Q.; Zhu, G.; Sánchez, P. A.; Kantorovich, S.; Ke, Y.; Gang, O.
2017	Effects of nanoparticle heating on the structure of a concentrated aqueous salt solution	Sindt, J. O.; Alexander, A. J.; Camp, P. J.
2020	Efficient synthesis of imino-1,3-thiazinan-4-one promoted by acetonitrile electrogenerated base and computational stadies with CB1 and 11 βHSD1 molecules	Sbei, N.; Titov, A. A.; Voskressensky, L. G.
2015	Ferrogels cross-linked by magnetic particles: Field-driven deformation and elasticity studied using computer simulations	Weeber, R.; Kantorovich, S.; Holm, C.
2021	Flux and Separation of Magneto-Active Superballs in Applied Fields	Kaiser, M.; Kantorovich, S. S.
2013	The generalized identification of truly interfacial molecules (ITIM) algorithm for nonplanar interfaces	Sega, M.; Kantorovich, S. S.; Jedlovszky, P.; Jorge, M.

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