| Nuclear quantum effects in water and aqueous systems: Experiment, theory, and current challenges M Ceriotti, W Fang, PG Kusalik, RH McKenzie, A Michaelides, ... Chemical reviews 116 (13), 7529-7550, 2016 | 596 | 2016 |
| 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 | 313 | 2019 |
| 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 | 100 | 2020 |
| Hydrogenation facilitates proton transfer through two-dimensional honeycomb crystals Y Feng, J Chen, W Fang, EG Wang, A Michaelides, XZ Li The Journal of Physical Chemistry Letters 8 (24), 6009-6014, 2017 | 67 | 2017 |
| Inverse temperature dependence of nuclear quantum effects in dna base pairs W Fang, J Chen, M Rossi, Y Feng, XZ Li, A Michaelides The journal of physical chemistry letters 7 (11), 2125-2131, 2016 | 62 | 2016 |
| Stability of complex biomolecular structures: van der Waals, hydrogen bond cooperativity, and nuclear quantum effects M Rossi, W Fang, A Michaelides The journal of physical chemistry letters 6 (21), 4233-4238, 2015 | 58 | 2015 |
| Origins of fast diffusion of water dimers on surfaces W Fang, J Chen, P Pedevilla, XZ Li, JO Richardson, A Michaelides Nature communications 11 (1), 1689, 2020 | 51 | 2020 |
| Simultaneous deep tunneling and classical hopping for hydrogen diffusion on metals W Fang, JO Richardson, J Chen, XZ Li, A Michaelides Physical review letters 119 (12), 126001, 2017 | 49 | 2017 |
| Molecular-level insights on reactive arrangement in on-surface photocatalytic coupling reactions using tip-enhanced Raman spectroscopy ZF Cai, JP Merino, W Fang, N Kumar, JO Richardson, S De Feyter, ... Journal of the American Chemical Society 144 (1), 538-546, 2021 | 34 | 2021 |
| Nonadiabatic quantum transition-state theory in the golden-rule limit. I. Theory and application to model systems MJ Thapa, W Fang, JO Richardson The Journal of Chemical Physics 150 (10), 2019 | 26 | 2019 |
| Ultrafast charge transfer coupled to quantum proton motion at molecule/metal oxide interface W Chu, S Tan, Q Zheng, W Fang, Y Feng, OV Prezhdo, B Wang, XZ Li, ... Science Advances 8 (24), eabo2675, 2022 | 25 | 2022 |
| Anomalously low barrier for water dimer diffusion on Cu (111) C Bertram, W Fang, P Pedevilla, A Michaelides, K Morgenstern Nano Letters 19 (5), 3049-3056, 2019 | 23 | 2019 |
| The quantum nature of hydrogen W Fang, J Chen, Y Feng, XZ Li, A Michaelides International Reviews in Physical Chemistry 38 (1), 35-61, 2019 | 22 | 2019 |
| Nonadiabatic quantum transition-state theory in the golden-rule limit. II. Overcoming the pitfalls of the saddle-point and semiclassical approximations W Fang, MJ Thapa, JO Richardson The Journal of chemical physics 151 (21), 2019 | 18 | 2019 |
| Quantum Tunnelling Driven H2 Formation on Graphene E Han, W Fang, M Stamatakis, JO Richardson, J Chen The Journal of Physical Chemistry Letters 13 (14), 3173-3181, 2022 | 17 | 2022 |
| Revisiting nuclear tunnelling in the aqueous ferrous–ferric electron transfer W Fang, RA Zarotiadis, JO Richardson Physical Chemistry Chemical Physics 22 (19), 10687-10698, 2020 | 16 | 2020 |
| The color center singlet state of oxygen vacancies in TiO2 J Chen, NA Bogdanov, D Usvyat, W Fang, A Michaelides, A Alavi The Journal of chemical physics 153 (20), 2020 | 15 | 2020 |
| Microcanonical tunneling rates from density-of-states instanton theory W Fang, P Winter, JO Richardson Journal of Chemical Theory and Computation 17 (1), 40-55, 2020 | 14 | 2020 |
| Diazophosphane HPN2 B Lu, X Shao, X Jiang, L Wang, J Xue, G Rauhut, G Tan, W Fang, X Zeng Journal of the American Chemical Society 144 (48), 21853-21857, 2022 | 10 | 2022 |
| Torsional tunneling splitting in a water trimer YC Zhu, S Yang, JX Zeng, W Fang, L Jiang, DH Zhang, XZ Li Journal of the American Chemical Society 144 (46), 21356-21362, 2022 | 8 | 2022 |
