Publications

Frechette, LB, Dellago, C & Geissler, PL 2019, 'Consequences of Lattice Mismatch for Phase Equilibrium in Heterostructured Solids', Physical Review Letters, vol. 123, no. 13, 135701. doi.org/10.1103/PhysRevLett.123.135701

Guarini, E, Neumann, M, Bafile, U, Bellissima, S & Colognesi, D 2019, 'Dynamical Origin of the Total and Zero-Point Kinetic Energy in a Quantum Fluid', Physical Review Letters, vol. 123, no. 13, 135301. doi.org/10.1103/PhysRevLett.123.135301

Michl, J, Sega, M & Dellago, C 2019, 'Phase stability of the ice XVII-based CO2 chiral hydrate from molecular dynamics simulations', Journal of Chemical Physics, vol. 151, no. 10, 104502. doi.org/10.1063/1.5116540

Minina, ES, Sanchez, PA, Likos, CN & Kantorovich, SS 2019, 'Studying synthesis confinement effects on the internal structure of nanogels in computer simulations', Journal of Molecular Liquids, vol. 289, 111066. doi.org/10.1016/j.molliq.2019.111066

Foglino, M, Locatelli, E, Brackley, CA, Michieletto, D, Likos, CN & Marenduzzo, D 2019, 'Non-equilibrium effects of molecular motors on polymers', Soft Matter, vol. 15, no. 29, pp. 5995-6005. doi.org/10.1039/c9sm00273a

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, 24LT02. doi.org/10.1088/1361-648X/ab0f6d

Weiss, LB, Marenda, M, Micheletti, C & Likos, CN 2019, 'Hydrodynamics and Filtering of Knotted Ring Polymers in Nanochannels', Macromolecules, vol. 52, no. 11, pp. 4111-4119. doi.org/10.1021/acs.macromol.9b00516

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.org/10.1088/1361-6455/ab114d

Garlea, IC, Jaramillo-Cano, D & Likos, CN 2019, 'Self-organization of gel networks formed by block copolymer stars', Soft Matter, vol. 15, no. 17, pp. 3527-3540. doi.org/10.1039/c9sm00111e

Singraber, A, Morawietz, T, Behler, J & Dellago, C 2019, 'Parallel Multistream Training of High-Dimensional Neural Network Potentials', Journal of Chemical Theory and Computation, vol. 15, no. 5, pp. 3075-3092. doi.org/10.1021/acs.jctc.8b01092

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.org/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.org/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.org/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.org/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.org/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.org/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.org/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.org/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.org/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.org/10.1039/c8nr05814h