Publications

Data-efficient fine-tuning of foundational models for first-principles quality sublimation enthalpies
H Kaur, F Della Pia, I Batatia, XR Advincula, BX Shi, J Lan, G Csányi, A Michaelides, V Kapil
Faraday Discuss
(2025)
256
Quasi-one-dimensional hydrogen bonding in nanoconfined ice.
P Ravindra, XR Advincula, C Schran, A Michaelides, V Kapil
Nat Commun
(2024)
15
Protons accumulate at the graphene-water interface
XR Advincula, KD Fong, A Michaelides, C Schran
(2024)
Data-efficient fine-tuning of foundational models for first-principles quality sublimation enthalpies
H Kaur, F Della Pia, I Batatia, XR Advincula, BX Shi, J Lan, G Csányi, A Michaelides, V Kapil
(2024)
Dynamics and nano-rheology of interfacial water: general discussion.
XR Advincula, KE Blow, M Bonn, AT Bui, Y Cheng, SJ Cox, F Della Pia, U Diebold, L Fumagalli, G Goel, JA Hayton, Y Jiang, V Kapil, N Kavokine, K Koga, D Laage, M Lahav, S Miao, A Michaelides, P Montero de Hijes, K Morgenstern, T Mukherjee, N O'Neill, D Pan, PM Piaggi, SLB Rempe, M Salvalaglio, CG Salzmann, T Sayer, M Shepelenko, GC Sosso, S Wang, B Webber, AP Willard, Y Yao
Faraday Discuss
(2024)
249
Ice interfaces: general discussion
XR Advincula, EHG Backus, T Bartels-Rausch, S Benaglia, G Ben Ari, KE Blow, M Bonn, AT Bui, SJ Cox, F Della Pia, U Diebold, AR Finney, G Franceschi, L Fumagalli, G Goel, JA Hayton, C Holdship, Y Jiang, D Jin, V Kapil, N Kavokine, K Koga, D Laage, M Lahav, S Miao, A Michaelides, N Mohandas, K Morgenstern, T Mukherjee, Y Nagata, M Olvera de la Cruz, D Pan, PM Piaggi, SLB Rempe, P Ryan, CG Salzmann, T Sayer, RJ Saykally, M Shepelenko, GC Sosso, TF Whale, JJ White, AP Willard, P Zhang
Faraday discussions
(2024)
249
Electrified/charged aqueous interfaces: general discussion
XR Advincula, EHG Backus, M Bonn, SJ Cox, U Diebold, A Fellows, AR Finney, G Goel, J Hedley, Y Jiang, D Jin, V Kapil, N Kavokine, J Klein, D Laage, N Mohandas, K Morgenstern, T Mukherjee, M Olvera de la Cruz, H Orlikowska-Rzeznik, S Perkin, PM Piaggi, CG Rodellar, P Ryan, T Sayer, M Seyffertitz, M Shepelenko, GC Sosso, M Thämer, A Vilangottunjalil, R Walker-Gibbons, Y Wang, AP Willard, P Zhang
Faraday Discuss
(2024)
249
Quasi-one-dimensional hydrogen bonding in nanoconfined ice
P Ravindra, XR Advincula, C Schran, A Michaelides, V Kapil
(2023)
Machine Learning Nucleation Collective Variables with Graph Neural Networks
FM Dietrich, XR Advincula, G Gobbo, MA Bellucci, M Salvalaglio
Journal of Chemical Theory and Computation
(2023)
20

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