Path-integral dynamics of water using curvilinear centroids G Trenins, MJ Willatt, SC Althorpe The Journal of Chemical Physics 151 (5), 2019 | 56 | 2019 |
Which quantum statistics–classical dynamics method is best for water? RL Benson, G Trenins, SC Althorpe Faraday Discussions 221, 350-366, 2020 | 51 | 2020 |
Mean-field Matsubara dynamics: Analysis of path-integral curvature effects in rovibrational spectra G Trenins, SC Althorpe The Journal of Chemical Physics 149 (1), 2018 | 30 | 2018 |
Instanton theory for Fermi’s golden rule and beyond IM Ansari, ER Heller, G Trenins, JO Richardson Philosophical Transactions of the Royal Society A 380 (2223), 20200378, 2022 | 24 | 2022 |
Testing the quasicentroid molecular dynamics method on gas-phase ammonia C Haggard, VG Sadhasivam, G Trenins, SC Althorpe The Journal of Chemical Physics 155 (17), 2021 | 15 | 2021 |
Nonadiabatic instanton rate theory beyond the golden-rule limit G Trenins, JO Richardson The Journal of Chemical Physics 156 (17), 2022 | 14 | 2022 |
i-PI 3.0: a flexible, efficient framework for advanced atomistic simulations Y Litman, V Kapil, YMY Feldman, D Tisi, T Begušić, K Fidanyan, G Fraux, ... arXiv preprint arXiv:2405.15224, 2024 | 8 | 2024 |
Improved torque estimator for condensed-phase quasicentroid molecular dynamics G Trenins, C Haggard, SC Althorpe The Journal of Chemical Physics 157 (17), 2022 | 8 | 2022 |
Quasicentroid molecular dynamics G Trenins | 5 | 2020 |
Zero-point energy and tunnelling: general discussion SC Althorpe, AM Alvertis, W Barford, RL Benson, I Burghardt, S Giannini, ... Faraday Discussions 221, 478-500, 2020 | 5 | 2020 |
Emerging opportunities and future directions: general discussion SC Althorpe, W Barford, J Blumberger, C Bungey, I Burghardt, A Datta, ... Faraday Discussions 221, 564-581, 2020 | 5 | 2020 |
Heavy-atom tunnelling in singlet oxygen deactivation predicted by instanton theory with branch-point singularities IM Ansari, ER Heller, G Trenins, JO Richardson Nature Communications 15 (1), 4335, 2024 | 3 | 2024 |
Exact tunneling splittings from symmetrized path integrals G Trenins, L Meuser, H Bertschi, O Vavourakis, R Flütsch, JO Richardson The Journal of Chemical Physics 159, 034108, 2023 | 2 | 2023 |
Non-Markovian Effects in Quantum Rate Calculations of Hydrogen Diffusion with Electronic Friction G Trenins, M Rossi arXiv preprint arXiv:2412.15014, 2024 | | 2024 |
Picocavity-enhanced Raman spectroscopy of physisorbed H2 and D2 molecules A Shiotari, S Liu, G Trenins, T Sugimoto, M Wolf, M Rossi, T Kumagai arXiv preprint arXiv:2411.10994, 2024 | | 2024 |
Research data supporting" Which quantum statistics–classical dynamics method is best for water?" RL Benson, G Trenins, SC Althorpe | | 2019 |