Samuel Brookes

1st year PhD student studying as part of the ICE group and completing qualification under the Syntech CDT.

Research interests revolve around the use of neural network potentials in simulating complex and extended molecular systems.

Publications

PLUMED Tutorials: A collaborative, community-driven learning ecosystem.

GA Tribello, M Bonomi, G Bussi, C Camilloni, BI Armstrong, A Arsiccio, S Aureli, F Ballabio, M Bernetti, L Bonati, SGH Brookes, ZF Brotzakis, R Capelli, M Ceriotti, K-T Chan, P Cossio, S Dasetty, D Donadio, B Ensing, AL Ferguson, G Fraux, JD Gale, FL Gervasio, T Giorgino, NSM Herringer, GM Hocky, SE Hoff, M Invernizzi, O Languin-Cattoën, V Leone, V Limongelli, O Lopez-Acevedo, F Marinelli, P Febrer Martinez, M Masetti, S Mehdi, A Michaelides, MH Murtada, M Parrinello, PM Piaggi, A Pietropaolo, F Pietrucci, S Pipolo, C Pritchard, P Raiteri, S Raniolo, D Rapetti, V Rizzi, J Rydzewski, M Salvalaglio, C Schran, A Seal, A Shayesteh Zadeh, TFD Silva, V Spiwok, G Stirnemann, D Sucerquia, P Tiwary, O Valsson, M Vendruscolo, GA Voth, AD White, J Wu

J Chem Phys

(2025)

162

092501

(doi: 10.1063/5.0251501)

CO2 Hydration at the Air-Water Interface: A Surface-Mediated 'In and Out' Mechanism

SGH Brookes, V Kapil, A Michaelides, C Schran

(2025)

The wetting of H2O by CO2

SGH Brookes, V Kapil, C Schran, A Michaelides

J Chem Phys

(2024)

161

084711

(doi: 10.1063/5.0224230)

The Wetting of H$_2$O by CO$_2$

SGH Brookes, V Kapil, C Schran, A Michaelides

(2024)

Interaction Potential for NaCs for Ultracold Scattering and Spectroscopy

SGH Brookes, JM Hutson

Journal of Physical Chemistry A

(2022)

126

3987

(doi: 10.1021/acs.jpca.2c01810)

Samuel Brookes

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