Publications

Romano, S, Kaur, H, Montero de Hijes, P, Zelenka, M, Eder, M, Choi, MJ, Du, Y, Parkinson, GS, Litman, Y, Backus, EHG & Dellago, C 2027, 'Towards decoding the structure of the water-magnetite interface', Journal of Colloid and Interface Science, vol. 729, 141808. https://doi.org/10.48550/arXiv.2410.12717, https://doi.org/10.1016/j.jcis.2026.141808

Brizioli, M, Beldring, SN, Rondelli, V, Cerbino, R, Vojinovic, V, Corredig, M & Giavazzi, F 2026, 'Probing early-stage casein micelle aggregation during milk acidification with differential dynamic microscopy', Journal of Colloid and Interface Science, vol. 722, 140842. https://doi.org/10.1016/j.jcis.2026.140842

Falkner, S, Montero de Hijes, P, Dellago, C & Schwierz, N 2026, 'Can DFT-Trained Neural Network Potentials Reproduce Structure, Solvation, and Water-Exchange Properties in Aqueous Magnesium Solutions?', Journal of Chemical Theory and Computation, vol. 22, no. 21, pp. 11432–11441. https://doi.org/10.48550/arXiv.2606.20105, https://doi.org/10.1021/acs.jctc.6c01270

Häupl, M, Falkner, S, Bolhuis, PG, Dellago, C & Coretti, A 2026, 'An Always-Accepting Algorithm for Transition Path Sampling', Journal of Chemical Theory and Computation. https://doi.org/10.48550/arXiv.2602.13130, https://doi.org/10.1021/acs.jctc.6c01159

Huang, X, Wen, X, Likos, CN, Li, R, Jiang, Z & Li, Y 2026, 'Effects of Relative Rigidities of Backbone and Arms on Conformational and Dynamical Characteristics of Branched Ring Polymer in Shear Flow', Macromolecules, vol. 59, no. 19, pp. 10843–10854. https://doi.org/10.1021/acs.macromol.6c01211

Barzaghi, L, Mazzella, C, Guidolin, C, Ackermann, J, Bellini, E, Massey, AE, Villa, S, Frittoli, E, Green, BJ, Palamidessi, A, Cattaneo, A, Bachi, A, Cancila, V, Tripodo, C, Polo, S, Cerbino, R, Cartagena-Rivera, AX, Voituriez, R, Giavazzi, F & Scita, G 2026, 'Contact percolation governs collective motility via mechano-chemical feedback in heterogeneous breast cancer', Nature Communications, vol. 17, no. 1, 10622. https://doi.org/10.1038/s41467-026-77357-8

Bulavin, LA, Bilous, OI, Zabulonov, YL, Rudnikov, YG & Lebovka, NI 2026, 'The influence of temperature and pressure on the thermodynamic coefficient -(∂V/∂P)_T for water and argon', Low Temperature Physics, vol. 52, no. 10, pp. 1159-1165. https://doi.org/10.1063/10.0046489

Montero de Hijes, P, Neubeck, L, Kresse, G & Dellago, C 2026, 'Dynamical properties of ab initio water from machine-learning potentials', Journal of Chemical Physics, vol. 165, no. 7, 074502. https://doi.org/10.48550/arXiv.2606.18163, https://doi.org/10.1063/5.0348453

Falkner, S, Schwierz, N & Montero de Hijes, P 2026, 'Unbiased exploration of the transition region in ice nucleation using the NpH ensemble', Journal of Chemical Physics, vol. 165, no. 5, 054504. https://doi.org/10.1063/5.0336532

Soprunyuk, V, Tröster, A, Pils, J, Schranz, W, Rychetsky, I, Klic, A & Carpenter, MA 2026, 'Ferroelastic domain wall motion and collective domain switching in RbSCN', Physical Review B, vol. 114, no. 3, 034113. https://doi.org/10.48550/arXiv.2606.30125, https://doi.org/10.1103/rmsb-fvm3

Giannetti, G, Pils, J, Gräter, F, Monego, D & Dellago, C 2026, 'Introducing non-enzymatic crosslinks into atomistic simulations of collagen fibrils', Bioinformatics, vol. 42, no. 7, btag409. https://doi.org/10.1093/bioinformatics/btag409

Colognesi, D, Bafile, U, Celli, M, del Rosso, L, Demmel, F & Neumann, M 2026, 'Quantum diffusion of molecular hydrogen in liquid Ne + H₂ mixtures: A quasielastic neutron scattering study', Physical Review E, vol. 114, no. 1, 015413. https://doi.org/10.1103/hkg3-y5t8

Khelfallah, M, Novak, EV, Kuznetsov, AA, Mostarac, D, Daffé, N, Sikora, M, Neveu, S, Zečević, J, Meeldijk, JD, Taverna, D, Sainctavit, P, Rovezzi, M, Elnaggar, H, Bertuit, E, Mille, N, Belkhou, R, Dupuis, V, Carvallo, C, Juhin, A & Kantorovich, SS 2026, 'Hard meets soft: tuning binary ferrofluids', Nanoscale, vol. 18, no. 22, pp. 11724-11738. https://doi.org/10.1039/D5NR05218A

Staňo, R, Rusková, R, Račko, D & Smrek, J 2026, 'Actively Induced Supercoiling Can Slow Down Plasmid Solutions by Trapping the Threading Entanglements', ACS Nano, vol. 20, no. 21, pp. 14998–15007. https://doi.org/10.48550/arXiv.2506.22842, https://doi.org/10.1021/acsnano.5c10811

Yang, X, Reiner, MM, Bachmair, B, González, L, Dietschreit, JCB & Dellago, C 2026, 'Natps: Nonadiabatic Transition Path Sampling Using the Time-Reversible Mapping Approach to Surface Hopping', The Journal of Physical Chemistry Letters, vol. 17, no. 21, pp. 6014-6023. https://doi.org/10.1021/acs.jpclett.6c00910

Moser, KN, Likos, C & Sposini, V 2026, 'Decoupling of single-particle and collective dynamics in arrested phase-separating glassy mixtures', Journal of Chemical Physics, vol. 164, no. 17, 174903. https://doi.org/10.1063/5.0322356

Ektirici, S, Harmandaris, V, Likos, C & Alexiou, T 2026, 'Ion-Modulated Polyelectrolyte Complexation of DNA and Polyacrylic Acid from Molecular Dynamics Simulations', Journal of Chemical Physics, vol. 164, no. 17, 175101. https://doi.org/10.1063/5.0324821

Kaivola, J, Punovuori, K, Chastney, MR, Abdo, H, Follain, G, Mathieu, M, Joshi, O, Miroshnikova, YA, Krautgasser, F, Di Franco, J, Conway, JRW, Held, S, Bertillot, F, Hagström, J, Mäkitie, A, Irjala, H, Ventelä, S, Hamidi, H, Scita, G, Cerbino, R, Wickström, SA & Ivaska, J 2026, 'Restoring the tumour mechanophenotype of vocal fold cancer reverts its malignant properties', Nature Materials, vol. 25, no. 5, pp. 868–882. https://doi.org/10.1038/s41563-025-02473-7

Santos, JPA, Telo da Gama, MM & Coelho, RCV 2026, 'Spontaneous rotation and propulsion of suspended capsules in active nematics', Physical Review E, vol. 113, no. 4, L043401. https://doi.org/10.48550/arXiv.2510.17643, https://doi.org/10.1103/nvrc-3mlt