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Wei Fang
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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
4082016
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
1502019
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
492015
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
432016
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
372020
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
332017
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
302017
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), 1-9, 2020
252020
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), 104107, 2019
202019
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
152019
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
112019
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), 214101, 2019
102019
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
82020
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), 204704, 2020
62020
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
52020
Application to large systems: general discussion
S Althorpe, G Angulo, RD Astumian, V Beniwal, PG Bolhuis, J Brandão, ...
Faraday Discussions 195, 671-698, 2016
52016
Fundamentals: general discussion
SC Althorpe, V Beniwal, PG Bolhuis, J Brandão, DC Clary, J Ellis, W Fang, ...
Faraday Discussions 195, 139-169, 2016
32016
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
22022
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, 2021
22021
General analytical nuclear force and molecular potential energy surface from full configuration interaction quantum Monte Carlo
T Jiang, W Fang, A Alavi, J Chen
arXiv preprint arXiv:2204.13356, 2022
2022
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Articles 1–20