| i-PI 2.0: A universal force engine for advanced molecular simulations V Kapil, M Rossi, O Marsalek, R Petraglia, Y Litman, T Spura, B Cheng, ... Computer Physics Communications 236, 214-223, 2019 | 358 | 2019 |
| Concerted hydrogen-bond breaking by quantum tunneling in the water hexamer prism JO Richardson, C Pérez, S Lobsiger, AA Reid, B Temelso, GC Shields, ... Science 351 (6279), 1310-1313, 2016 | 349 | 2016 |
| Ring-polymer molecular dynamics rate-theory in the deep-tunneling regime: Connection with semiclassical instanton theory JO Richardson, SC Althorpe The Journal of chemical physics 131 (21), 2009 | 322 | 2009 |
| Communication: Nonadiabatic ring-polymer molecular dynamics JO Richardson, M Thoss The Journal of chemical physics 139 (3), 2013 | 155 | 2013 |
| Ring-polymer instanton method for calculating tunneling splittings JO Richardson, SC Althorpe The Journal of chemical physics 134 (5), 2011 | 129 | 2011 |
| Nanometre-scale spectroscopic visualization of catalytic sites during a hydrogenation reaction on a Pd/Au bimetallic catalyst H Yin, LQ Zheng, W Fang, YH Lai, N Porenta, G Goubert, H Zhang, HS Su, ... Nature Catalysis 3 (10), 834-842, 2020 | 109 | 2020 |
| Ring-polymer instanton theory JO Richardson International reviews in physical chemistry 37 (2), 171-216, 2018 | 108 | 2018 |
| Instanton calculations of tunneling splittings for water dimer and trimer JO Richardson, SC Althorpe, DJ Wales The Journal of chemical physics 135 (12), 2011 | 106 | 2011 |
| Derivation of instanton rate theory from first principles JO Richardson The Journal of Chemical Physics 144 (11), 2016 | 99 | 2016 |
| Generalized spin mapping for quantum-classical dynamics JE Runeson, JO Richardson The Journal of chemical physics 152 (8), 2020 | 94 | 2020 |
| Spin-mapping approach for nonadiabatic molecular dynamics JE Runeson, JO Richardson The Journal of chemical physics 151 (4), 2019 | 91 | 2019 |
| Perspective: Ring-polymer instanton theory JO Richardson The Journal of chemical physics 148 (20), 2018 | 91 | 2018 |
| Elucidating the nuclear quantum dynamics of intramolecular double hydrogen transfer in porphycene Y Litman, JO Richardson, T Kumagai, M Rossi Journal of the American Chemical Society 141 (6), 2526-2534, 2019 | 82 | 2019 |
| Stress test for quantum dynamics approximations: Deep tunneling in the muonium exchange reaction D+ HMu→ DMu+ H R Pérez de Tudela, YV Suleimanov, JO Richardson, V Saez Rabanos, ... The Journal of Physical Chemistry Letters 5 (23), 4219-4224, 2014 | 77 | 2014 |
| On the identity of the identity operator in nonadiabatic linearized semiclassical dynamics MAC Saller, A Kelly, JO Richardson The Journal of chemical physics 150 (7), 2019 | 75 | 2019 |
| Ion-mediated hydrogen-bond rearrangement through tunnelling in the iodide–dihydrate complex P Bajaj, JO Richardson, F Paesani Nature chemistry 11 (4), 367-374, 2019 | 70 | 2019 |
| Benchmarking quasiclassical mapping Hamiltonian methods for simulating electronically nonadiabatic molecular dynamics X Gao, MAC Saller, Y Liu, A Kelly, JO Richardson, E Geva Journal of chemical theory and computation 16 (5), 2883-2895, 2020 | 68 | 2020 |
| Quantum tunneling rates of gas-phase reactions from on-the-fly instanton calculations AN Beyer, JO Richardson, PJ Knowles, J Rommel, SC Althorpe The Journal of Physical Chemistry Letters 7 (21), 4374-4379, 2016 | 67 | 2016 |
| 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 |
| Investigation of terahertz vibration–rotation tunneling spectra for the water octamer JO Richardson, DJ Wales, SC Althorpe, RP McLaughlin, MR Viant, O Shih, ... The Journal of Physical Chemistry A 117 (32), 6960-6966, 2013 | 66 | 2013 |
Dr. Ricardo Pérez de TudelaLehrstuhl für Theoretische Chemie, Ruhr-Universität BochumEmail được xác minh tại theochem.rub.de