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Showing results 1 to 20 of 73  next >
Issue DateTitleAuthor(s)
2022Ab Initio Study of the Mechanism of Proton Migration in Perovskite LaScO3Galashev, A. Y.; Pavlov, D. S.; Zaikov, Y. P.; Rakhmanova, O. R.
2020Adsorption transition of a grafted ferromagnetic filament controlled by external magnetic fieldsSánchez, P. A.; Novak, E. V.; Pyanzina, E. S.; Kantorovich, S. S.; Cerdà, J. J.; Sintes, T.
2019Atomistic simulation of PDADMAC/PSS oligoelectrolyte multilayers: Overall comparison of tri- And tetra-layer systemsSánchez, P. A.; Vögele, M.; Smiatek, J.; Qiao, B.; Sega, M.; Holm, C.
2022azTotMD 2.0: Molecular Dynamics with the Radiative Thermostat and Temperature-Dependent Force Field (CUDA Version)Raskovalov, A.; Surkov, P.
2022Behaviour of a Magnetic Nanogel in a Shear FlowNovikau, I. S.; Novak, E. V.; Pyanzina, E. S.; Kantorovich, S. S.
2022Benchmarking the ability of novel compounds to inhibit SARS-CoV-2 main protease using steered molecular dynamics simulationsSingh, R.; Bhardwaj, V. K.; Das, P.; Bhattacherjee, D.; Zyryanov, G. V.; Purohit, R.
2020Characterisation of the magnetic response of nanoscale magnetic filaments in applied fieldsMostarac, D.; Sánchez, P. A.; Kantorovich, S.
2014Communication: Kinetic and pairing contributions in the dielectric spectra of electrolyte solutionsSega, M.; Kantorovich, S. S.; Holm, C.; Arnold, A.
2019Computational study of lithium intercalation in silicene channels on a carbon substrate after nuclear transmutation dopingGalashev, A.; Ivanichkina, K.; Katin, K.; Maslov, M.
2019Computer study of the structure and thermal stability of a monolayer mos2 film on a diamond substrateGalashev, A. Y.; Ivanichkina, K. A.
2016Cooling rate dependence of simulated Cu64.5Zr35.5 metallic glass structureRyltsev, R. E.; Klumov, B. A.; Chtchelkatchev, N. M.; Shunyaev, K. Y.
2022Deep Machine Learning Potentials for Multicomponent Metallic Melts: Development, Predictability and Compositional TransferabilityRyltsev, R. E.; Chtchelkatchev, N. M.
2019Deformation behaviour of aluminium nanocrystals under shock-wave loadingVlasova, A. M.
2020Diffusion of single active-dipolar cubes in applied fieldsKaiser, M.; Martinez, Y.; Schmidt, A. M.; Sánchez, P. A.; Kantorovich, S. S.
2021Divalent Multilinking Bonds Control Growth and Morphology of NanopolymersXiong, Y.; Lin, Z.; Mostarac, D.; Minevich, B.; Peng, Q.; Zhu, G.; Sánchez, P. A.; Kantorovich, S.; Ke, Y.; Gang, O.
2017Effects of nanoparticle heating on the structure of a concentrated aqueous salt solutionSindt, J. O.; Alexander, A. J.; Camp, P. J.
2020Efficient synthesis of imino-1,3-thiazinan-4-one promoted by acetonitrile electrogenerated base and computational stadies with CB1 and 11 βHSD1 moleculesSbei, N.; Titov, A. A.; Voskressensky, L. G.
2015Ferrogels cross-linked by magnetic particles: Field-driven deformation and elasticity studied using computer simulationsWeeber, R.; Kantorovich, S.; Holm, C.
2021Flux and Separation of Magneto-Active Superballs in Applied FieldsKaiser, M.; Kantorovich, S. S.
2013The generalized identification of truly interfacial molecules (ITIM) algorithm for nonplanar interfacesSega, M.; Kantorovich, S. S.; Jedlovszky, P.; Jorge, M.