Publications
Showing entries 1 - 20 out of 630
2025
Eingang, E, Dellago, C & Sega, M 2025, 'Nuclear quantum effects at the liquid/vapor interface from neural-network based path integral molecular dynamics simulations', Journal of Chemical Physics, vol. 162, no. 24, 244709. https://doi.org/10.1063/5.0268072
Novikau, IS, Kantorovich, SS & Altmeyer, SA 2025, 'Viscoelastic flow instability in planar shear flow', Physics of fluids, vol. 37, no. 6, 063109. https://doi.org/10.1063/5.0261021
Hartl, B, Levin, M & Zöttl, A 2025, 'Neuroevolution of decentralized decision-making in N-bead swimmers leads to scalable and robust collective locomotion', Communications Physics, vol. 8, no. 1, 194. https://doi.org/10.48550/arXiv.2407.09438, https://doi.org/10.1038/s42005-025-02101-5
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
Mohamed Yunus, RA, Gürel, U, Guzik, A, Dieudonné-George, P, Stuart, MCA, Likos, CN, Raffa, P, Truzzolillo, D, Giuntoli, A & Parisi, D 2025, 'Glass Transition and Yielding of Ultrasoft Charged Spherical Micelles', Macromolecules. https://doi.org/10.1021/acs.macromol.4c03215
Vignolo, A, Baird, TJ, Spiga, F, Canevari, C, Coretti, A, Vuilleumier, R, Cavalli, A, Bonella, S & Decherchi, S 2025, 'A tale of two codes: CUDA vs OpenACC for mass-zero constrained dynamics', International Journal of High Performance Computing Applications, pp. 1-17. https://doi.org/10.1177/10943420251331673
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
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. https://doi.org/10.1080/00268976.2025.2472020
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
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
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
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
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, 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, pp. 615-647.