Publications

When Is Nanoconfined Water Different From Interfacial Water?
XR Advincula, C Schran, A Michaelides
(2025)
Breaking the Air-Water Paradigm: Ion Behavior at Hydrophobic Solid-Water Interfaces
XR Advincula, KD Fong, Y Wang, C Schran, M Bonn, A Michaelides, Y Litman
(2025)
A foundation model for atomistic materials chemistry
I Batatia, P Benner, Y Chiang, AM Elena, DP Kovács, J Riebesell, XR Advincula, M Asta, M Avaylon, WJ Baldwin, F Berger, N Bernstein, A Bhowmik, F Bigi, SM Blau, V Cărare, M Ceriotti, S Chong, JP Darby, S De, F Della Pia, VL Deringer, R Elijošius, Z El-Machachi, E Fako, F Falcioni, AC Ferrari, JLA Gardner, MJ Gawkowski, A Genreith-Schriever, J George, REA Goodall, J Grandel, CP Grey, P Grigorev, S Han, W Handley, HH Heenen, K Hermansson, CH Ho, S Hofmann, C Holm, J Jaafar, KS Jakob, H Jung, V Kapil, AD Kaplan, N Karimitari, JR Kermode, P Kourtis, N Kroupa, J Kullgren, MC Kuner, D Kuryla, G Liepuoniute, C Lin, JT Margraf, I-B Magdău, A Michaelides, JH Moore, AA Naik, SP Niblett, SW Norwood, N O'Neill, C Ortner, KA Persson, K Reuter, AS Rosen, LAM Rosset, LL Schaaf, C Schran, BX Shi, E Sivonxay, TK Stenczel, C Sutton, V Svahn, TD Swinburne, J Tilly, C van der Oord, S Vargas, E Varga-Umbrich, T Vegge, M Vondrák, Y Wang, WC Witt, T Wolf, F Zills, G Csányi
J Chem Phys
(2025)
163
A foundation model for atomistic materials chemistry
I Batatia, P Benner, Y Chiang, AM Elena, DVP Kovács, J Riebesell, XR Advincula, M Asta, M Avaylon, WJ Baldwin, F Berger, N Bernstein, A Bhowmik, F Bigi, SM Blau, V Cărare, M Ceriotti, S Chong, JP Darby, S De, F Della Pia, VL Deringer, R Elijošius, Z El-Machachi, F Falcioni, E Fako, AC Ferrari, JLA Gardner, MJ Gawkowski, A Genreith-Schriever, J George, REA Goodall, J Grandel, CP Grey, P Grigorev, S Han, W Handley, HH Heenen, K Hermansson, C Holm, CH Ho, S Hofmann, J Jaafar, KS Jakob, H Jung, V Kapil, AD Kaplan, N Karimitari, JR Kermode, P Kourtis, N Kroupa, J Kullgren, MC Kuner, D Kuryla, G Liepuoniute, C Lin, JT Margraf, I-B Magdău, A Michaelides, JH Moore, AA Naik, SP Niblett, SW Norwood, N O'Neill, C Ortner, KA Persson, K Reuter, AS Rosen, LAM Rosset, LL Schaaf, C Schran, BX Shi, E Sivonxay, TSK Stenczel, V Svahn, C Sutton, TD Swinburne, J Tilly, C van der Oord, S Vargas, E Varga-Umbrich, T Vegge, M Vondrák, Y Wang, WC Witt, T Wolf, F Zills, GB Csányi
(2025)
Clay Edges Are Dynamic Proton-conducting Networks Modulated by Structure and pH
Y Feng, XR Advincula, H Fang, C Schran
(2025)
How reactive is water at the nanoscale and how to control it?
XR Advincula, Y Litman, KD Fong, WC Witt, C Schran, A Michaelides
(2025)
Spontaneous Surface Charging and Janus Nature of the Hexagonal Boron Nitride–Water Interface
Y Wang, H Luo, XR Advincula, Z Zhao, A Esfandiar, D Wu, KD Fong, L Gao, AS Hazrah, T Taniguchi, C Schran, Y Nagata, L Bocquet, M-L Bocquet, Y Jiang, A Michaelides, M Bonn
Journal of the American Chemical Society
(2025)
147
Nanoconfined superionic water is a molecular superionic
SW Coles, A Hajibabaei, V Kapil, XR Advincula, C Schran, SJ Cox, A Michaelides
(2025)
Unexpected structural isomers of AlFe<sub>2</sub>O<sub>4</sub> <sup>+</sup> and AlCo<sub>2</sub>O<sub>4</sub> <sup>+</sup>: vibrational spectroscopy and ion mobility combined with quantum chemistry.
W Schwedland, TC Penna, H Windeck, F Müller, S Leach, J Sauer, XR Advincula, F Berger, N Ishida, K Ohshimo, F Misaizu, Y-K Li, A Chakraborty, F Horn, KR Asmis
Chemical Science
(2025)
16
Protons Accumulate at the Graphene-Water Interface
XR Advincula, KD Fong, A Michaelides, C Schran
ACS nano
(2025)
19

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