Publications
Showing entries 41 - 60 out of 662
2025
Coretti, A, Falkner, S, Geissler, PL & Dellago, C 2025, 'Learning mappings between equilibrium states of liquid systems using normalizing flows', Journal of Chemical Physics, vol. 162, no. 18, 184102. https://doi.org/10.48550/arXiv.2208.10420, https://doi.org/10.1063/5.0253034
Speckmann, C, Angeletti, A, Kývala, L, Lamprecht, D, Herterich, F, Mangler, C, Filipovic, L, Dellago, C, Franchini, C & Kotakoski, J 2025, 'Electron-Beam-Induced Adatom-Vacancy-Complexes in Mono- and Bilayer Phosphorene', Advanced Materials Interfaces, vol. 12, no. 9, 2400784. https://doi.org/10.48550/arXiv.2409.11102, https://doi.org/10.1002/admi.202400784
Kocer, E, Singraber, A, Finkler, JA, Misof, P, Ko, TW, Dellago, C & Behler, J 2025, 'Iterative charge equilibration for fourth-generation high-dimensional neural network potentials', Journal of Chemical Physics, vol. 162, no. 12, 124106. https://doi.org/10.48550/arXiv.2502.07907, https://doi.org/10.1063/5.0252566
Pineda, SP, Blanco, PM, Staňo, R & Košovan, P 2025, 'Patchy Charge Distribution Affects the pH in Protein Solutions during Dialysis', Langmuir, vol. 41, no. 8, pp. 5387–5398. https://doi.org/10.1021/acs.langmuir.4c04942
Pyanzina, ES, Novak, EV, Kuznetsov, AA & Kantorovich, SS 2025, 'Dynamic magnetic response of multicore particles: The role of grain magnetic anisotropy and intergrain interactions', Journal of Molecular Liquids, vol. 421, 126842. https://doi.org/10.1016/j.molliq.2024.126842
Gorfer, A, Abart, R & Dellago, C 2025, 'Mechanism and kinetics of sodium diffusion in Na-feldspar from neural network based atomistic simulations', Acta Materialia, vol. 286, 120657. https://doi.org/10.1016/j.actamat.2024.120657
Kývala, L, Montero de Hijes, P & Dellago, C 2025, 'Unsupervised identification of crystal defects from atomistic potential descriptors', npj Computational Materials, vol. 11, no. 1, 50. https://doi.org/10.48550/arXiv.2405.01320, https://doi.org/10.1038/s41524-025-01544-2
Romano, S, Montero de Hijes, P, Meier, M, Kresse, G, Franchini, C & Dellago, C 2025, 'Structure and Dynamics of the Magnetite(001)/Water Interface from Molecular Dynamics Simulations Based on a Neural Network Potential', Journal of Chemical Theory and Computation, vol. 21, no. 4, pp. 1951-1960. https://doi.org/10.48550/arXiv.2408.11538, https://doi.org/10.1021/acs.jctc.4c01507
Reich, M, Colla, T & Likos, CN 2025, 'Structural transitions of ionic microgel solutions driven by circularly polarized electric fields', Soft Matter, vol. 21, no. 8, pp. 1516-1528. https://doi.org/10.1039/D4SM01414F
Brizioli, M, Escobedo-Sánchez, MA, McCall, PM, Roichman, Y, Trappe, V, Gardel, ML, Egelhaaf, SU, Giavazzi, F & Cerbino, R 2025, 'One- and two-particle microrheology of soft materials based on optical-flow image analysis', Soft Matter, vol. 21, no. 7, pp. 1373-1381. https://doi.org/10.1039/d4sm01390e
Mostarac, D, Kuznetsov, AA, Helbig, S, Abert, C, Sánchez, PA, Suess, D & Kantorovich, SS 2025, 'Thermal Stoner-Wohlfarth model for magnetodynamics of single domain nanoparticles: Implementation and validation', Physical Review B, vol. 111, no. 1, 014438. https://doi.org/10.48550/arXiv.2408.06136, https://doi.org/10.1103/PhysRevB.111.014438
Jochum, C, Adžić, N, Stiakakis, E, Kahl, G & Likos, CN 2025, 'Self-organisation of planar and tripod-shaped DNA stars confined to the water–air interface', Molecular Physics, vol. 123, no. 21-22, e2472020. https://doi.org/10.1080/00268976.2025.2472020
2024
Sappl, L, Likos, CN & Zöttl, A 2024, 'Polymer Thermophoresis by Mesoscale Simulations', Macromolecules, vol. 57, no. 24, pp. 11534–11549. https://doi.org/10.1021/acs.macromol.4c01656
Cerbino, R & Giavazzi, F 2024, Quantitative Microscopy of Active Colloids. in J Simmchen, W Uspal & W Wang (eds), Active Colloids: From Fundamentals to Frontiers. Royal Society of Chemistry, Cambridge, Soft Matter Series, pp. 32-63. https://doi.org/10.1039/9781837674589-00032
Cerbino, R 2024, From Real to Reciprocal Space: Scattering Information from Real Space Images. in P Lindner & J Oberdisse (eds), Neutrons, X-rays, and Light: Scattering Methods Applied to Soft Condensed Matter. 2 edn, Elsevier, Amsterdam, pp. 615-647.
Novikau, IS, Novak, EV & Kantorovich, SS 2024, 'The impact of cross-linker distribution on magnetic nanogels: encapsulation, transport and controlled release of the tracer', Soft Matter, vol. 20, no. 44, pp. 8765-8774. https://doi.org/10.1039/d4sm00797b
de Jager, M, Vega, C, Montero de Hijes, P, Smallenburg, F & Filion, L 2024, 'Statistical mechanics of crystal nuclei of hard spheres', Journal of Chemical Physics, vol. 161, no. 18, 184501. https://doi.org/10.48550/arXiv.2407.04394, https://doi.org/10.1063/5.0226862
Huang, X, Wen, X, Likos, CN, Wang, D, He, L, Li, H & Li, R 2024, 'Influence of the rigidity of the backbone and arms on the dynamical and conformational properties of the comb polymer in shear flow', Journal of Chemical Physics, vol. 161, no. 15, 154902. https://doi.org/10.1063/5.0230750
Montero de Hijes, P, Dellago, C, Jinnouchi, R & Kresse, G 2024, 'Density isobar of water and melting temperature of ice: Assessing common density functionals', Journal of Chemical Physics, vol. 161, no. 13, 131102 . https://doi.org/10.1063/5.0227514
Koraltan, S, Schultheiss, K, Bruckner, F, Weigand, M, Abert, C, Suess, D & Wintz, S 2024, 'Steerable current-driven emission of spin waves in magnetic vortex pairs', Science Advances, vol. 10, no. 39, eado8635. https://doi.org/10.1126/sciadv.ado8635
Showing entries 41 - 60 out of 662