Ab initio instanton rate theory made efficient using Gaussian process regression G Laude, D Calderini, DP Tew, JO Richardson Faraday discussions 212, 237-258, 2018 | 66 | 2018 |
Ring-polymer instanton tunneling splittings of tropolone and isotopomers using a δ-machine learned ccsd (t) potential: Theory and experiment shake hands A Nandi, G Laude, SS Khire, ND Gurav, C Qu, R Conte, Q Yu, S Li, ... Journal of the American Chemical Society 145 (17), 9655-9664, 2023 | 18 | 2023 |
Instanton theory of tunneling in molecules with asymmetric isotopic substitutions E Jahr, G Laude, JO Richardson The Journal of Chemical Physics 153 (9), 2020 | 17 | 2020 |
Calculations of quantum tunnelling rates for muonium reactions with methane, ethane and propane G Laude, D Calderini, R Welsch, JO Richardson Physical Chemistry Chemical Physics 22 (29), 16843-16854, 2020 | 12 | 2020 |
Instanton Theory of Tunnelling in Asymmetric Systems and Vibrationally-Excited States G Laude ETH Zurich, 2024 | | 2024 |
Stability of Carbon Dioxide Hydrates from Local MP2 Calculations G Laude University of Edinburgh, 2019 | | 2019 |
Ab initio instanton calculations made efficient with Gaussian process regression G Laude ETH Zürich, University of Edinburgh, 2018 | | 2018 |