Publications

Toneian, D, Likos, CN & Kahl, G 2019, 'Controlled self-aggregation of polymer-based nanoparticles employing shear flow and magnetic fields' Journal of Physics: Condensed Matter, vol. 31, no. 24, ARTN 24LT02. DOI: 10.1088/1361-648X/ab0f6d

Borysow, J, Moraldi, M & Neumann, M 2019, 'Rotational lines of hydrogen in water' Journal of Physics B: Atomic, Molecular and Optical Physics, vol. 52, no. 9, 095101. DOI: 10.1088/1361-6455/ab114d

Jehser, M, Zifferer, G & Likos, C 2019, 'Scaling and Interactions of Linear and Ring Polymer Brushes via DPD Simulations' Polymers, vol. 11, no. 3, 541. DOI: 10.3390/polym11030541

Marcetic, D, Elezovic-Hadzic, S, Adzic, N & Zivic, I 2019, 'Semi-flexible compact polymers in two dimensional nonhomogeneous confinement' Journal of Physics A: Mathematical and Theoretical, vol. 52, no. 12, 125001. DOI: 10.1088/1751-8121/ab04e7

Qin, L, Dellago, C & Kozeschnik, E 2019, 'An efficient method to reconstruct free energy profiles for diffusive processes in transition interface sampling and forward flux sampling simulations' Journal of Chemical Physics, vol. 150, no. 9, 094114. DOI: 10.1063/1.5080933

Hantal, G, Fabian, B, Sega, M, Jojart, B & Jedlovszky, P 2019, 'Effect of general anesthetics on the properties of lipid membranes of various compositions' Biochimica et Biophysica Acta - Biomembranes, vol. 1861, no. 3, pp. 594-609. DOI: 10.1016/j.bbamem.2018.12.008

Lebedev, AV, Kantorovich, SS, Ivanov, AO, Arefyev, IM & Pshenichnikov, AF 2019, 'Weakening of magnetic response experimentally observed for ferrofluids with strongly interacting magnetic nanoparticles' Journal of Molecular Liquids, vol. 277, pp. 762-768. DOI: 10.1016/j.molliq.2018.06.001

Singraber, A, Behler, J & Dellago, C 2019, 'Library-Based LAMMPS Implementation of High-Dimensional Neural Network Potentials' Journal of Chemical Theory and Computation, vol. 15, no. 3, pp. 1827-1840. DOI: 10.1021/acs.jctc.8b00770

Bellissima, S, Neumann, M, Bafile, U, Colognesi, D, Barocchi, F & Guarini, E 2019, 'Density and time scaling effects on the velocity autocorrelation function of quantum and classical dense fluid para-hydrogen' Journal of Chemical Physics, vol. 150, no. 7, 074502. DOI: 10.1063/1.5085202

Nerattini, F, Tubiana, L, Cardelli, C, Bianco, V, Dellago, C & Coluzza, I 2019, 'Design of Protein-Protein Binding Sites Suggests a Rationale for Naturally Occurring Contact Areas' Journal of Chemical Theory and Computation, vol. 15, no. 2, pp. 1383-1392. DOI: 10.1021/acs.jctc.8b00667

Smrek, J, Kremer, K & Rosa, A 2019, 'Threading of Unconcatenated Ring Polymers at High Concentrations: Double-Folded vs Time-Equilibrated Structures' ACS Macro Letters, vol. 8, no. 2, pp. 155-160. DOI: 10.1021/acsmacrolett.8b00828

Jochum, C, Adzic, N, Stiakakis, E, Derrien, TL, Luo, D, Kahl, G & Likos, CN 2019, 'Structure and stimuli-responsiveness of all-DNA dendrimers: theory and experiment' Nanoscale, vol. 11, no. 4, pp. 1604-1617. DOI: 10.1039/c8nr05814h

Cheng, B, Engel, EA, Behler, J, Dellago, C & Ceriotti, M 2019, 'Ab initio thermodynamics of liquid and solid water' Proceedings of the National Academy of Sciences of the United States of America, vol. 116, no. 4, pp. 1110-1115. DOI: 10.1073/pnas.1815117116

Colognesi, D, Bafile, U, Celli, M, Neumann, M, Guarini, E & Le, MD 2019, 'Hydrogen self-dynamics in diluted liquid mixtures with neon: An inelastic neutron scattering study' Physical Review E, vol. 99, no. 1, 012138. DOI: 10.1103/PhysRevE.99.012138

Novak, E, Pyanzina, ES, Rozhkov, D, Sánchez, PA & Kantorovich, S 2019, 'Supracolloidal magnetic polymer-like aggregates: structural properties of self-assembled pairs' Journal of Magnetism and Magnetic Materials, vol. 470, pp. 22-27. DOI: 10.1016/j.jmmm.2017.10.075

Sánchez, PA, Minina, E, Kantorovich, S & Kramarenko, EY 2019, 'Surface relief of magnetoactive elastomeric films in a homogeneous magnetic field: molecular dynamics simulations' Soft Matter, vol. 15, no. 2, pp. 175-189. DOI: 10.1039/C8SM01850B

Bazarenko, A & Sega, M 2018, 'Electrokinetic droplet transport from electroosmosis to electrophoresis' Soft Matter, vol. 47, pp. 9571-9576. DOI: 10.1039/C8SM01788C

Borysow, J, Moraldi, M & Neumann, M 2018, 'Calculation of the Raman Q branch of hydrogen in water and comparison with experiments' Journal of Physics B: Atomic, Molecular and Optical Physics, vol. 51, no. 23, 235101. DOI: 10.1088/1361-6455/aaeae3

Cheng, B, Dellago, C & Ceriotti, M 2018, 'Theoretical prediction of the homogeneous ice nucleation rate: disentangling thermodynamics and kinetics' Physical Chemistry Chemical Physics, vol. 20, no. 45, pp. 28732-28740. DOI: 10.1039/c8cp04561e

Bazarenko, A & Sega, M 2018, 'A simple approximation for the distribution of ions between charged plates in the weak coupling regime' Journal of Molecular Liquids, vol. 271, pp. 301-304. DOI: 10.1016/j.molliq.2018.08.148