Wei Fang

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All published works

Action	Title	Year	Authors
+ PDF Chat	Quantum Tunnelling Driven H<sub>2</sub> Formation on Graphene	2022	Erxun Han Wei Fang Michail Stamatakis Jeremy O. Richardson Ji Chen
+ PDF Chat	Rapid Water Diffusion at Cryogenic Temperatures through an Inchworm-like Mechanism	2021	Wei Fang Kastur M. Meyer auf der Heide Christopher Zaum Angelos Michaelides Karina Morgenstern
+	Both qubits of the singlet state can be steered simultaneously by multiple independent observers via sequential measurement	2021	Kun Liu Tongjun Liu Wei Fang Jian Li Qin Wang
+ PDF Chat	Microcanonical Tunneling Rates from Density-of-States Instanton Theory	2020	Wei Fang Pierre Winter Jeremy O. Richardson
+ PDF Chat	The color center singlet state of oxygen vacancies in TiO2	2020	Ji Chen Nikolay A. Bogdanov Denis Usvyat Wei Fang Angelos Michaelides Ali Alavi
+	Microcanonical Tunneling Rates from Density-of-States Instanton Theory	2020	Wei Fang Pierre Winter Jeremy O. Richardson
+ PDF Chat	Revisiting nuclear tunnelling in the aqueous ferrous–ferric electron transfer	2020	Wei Fang Rhiannon A. Zarotiadis Jeremy O. Richardson
+ PDF Chat	Nonadiabatic quantum transition-state theory in the golden-rule limit. II. Overcoming the pitfalls of the saddle-point and semiclassical approximations	2019	Wei Fang Manish Thapa Jeremy O. Richardson
+ PDF Chat	Nonadiabatic quantum transition-state theory in the golden-rule limit. I. Theory and application to model systems	2019	Manish Thapa Wei Fang Jeremy O. Richardson
+	i-PI 2.0: A universal force engine for advanced molecular simulations	2018	Venkat Kapil Mariana Rossi Ondřej Maršálek Riccardo Petraglia Yair Litman Thomas Spura Bingqing Cheng Alice Cuzzocrea Robert H. Meißner David M. Wilkins
+	The quantum nature of hydrogen	2018	Wei Fang Ji Chen Yexin Feng Xin-Zheng Li Angelos Michaelides
+ PDF Chat	Hydrogenation Facilitates Proton Transfer through Two-Dimensional Honeycomb Crystals	2017	Yexin Feng Ji Chen Wei Fang Enge Wang Angelos Michaelides Xin-Zheng Li
+ PDF Chat	Simultaneous Deep Tunneling and Classical Hopping for Hydrogen Diffusion on Metals	2017	Wei Fang Jeremy O. Richardson Ji Chen Xin-Zheng Li Angelos Michaelides
+	Hydrogenation Facilitates Proton Transfer Through Two-Dimensional Honeycomb Crystals	2017	Yexin Feng Ji Chen Wei Fang Enge Wang Angelos Michaelides Xin-Zheng Li
+	Inverse Temperature Dependence of Nuclear Quantum Effects in DNA Base Pairs	2016	Wei Fang Ji Chen Mariana Rossi Yexin Feng Xin-Zheng Li Angelos Michaelides
+ PDF Chat	Stability of Complex Biomolecular Structures: van der Waals, Hydrogen Bond Cooperativity, and Nuclear Quantum Effects	2015	Mariana Rossi Wei Fang Angelos Michaelides

Common Coauthors

Coauthor	Papers Together
Angelos Michaelides	8
Jeremy O. Richardson	8
Xin-Zheng Li	5
Ji Chen	5
Yexin Feng	4
Mariana Rossi	3
Manish Thapa	2
Pierre Winter	2
Enge Wang	2
Przemysław Juda	1
Michele Ceriotti	1
Nikolay A. Bogdanov	1
Jan Henning Keßler	1
Alice Cuzzocrea	1
David M. Wilkins	1
Alexandre Tkatchenko	1
Rhiannon A. Zarotiadis	1
Bingqing Cheng	1
Denis Usvyat	1
Benjamin A. Helfrecht	1
Ondřej Maršálek	1
David E. Manolopoulos	1
Thomas E. Markland	1
Igor Poltavsky	1
Véronique Van Speybroeck	1
Jelle Wieme	1
Thomas D. Kühne	1
Michail Stamatakis	1
Thomas Spura	1
Kastur M. Meyer auf der Heide	1
Karina Morgenstern	1
Yair Litman	1
Ali Alavi	1
Kun Liu	1
Riccardo Petraglia	1
Qin Wang	1
Tongjun Liu	1
Ji Chen	1
Ji Chen	1
Jian Li	1
Erxun Han	1
Clémence Corminbœuf	1
Robert H. Meißner	1
Gareth A. Tribello	1
Venkat Kapil	1
Sébastien P. Bienvenue	1
Christopher Zaum	1
Steven Vandenbrande	1

Commonly Cited References

Action	Title	Year	Authors	# of times referenced
+ PDF Chat	Derivation of instanton rate theory from first principles	2016	Jeremy O. Richardson	7
+	Elucidating the Nuclear Quantum Dynamics of Intramolecular Double Hydrogen Transfer in Porphycene	2019	Yair Litman Jeremy O. Richardson Takashi Kumagai Mariana Rossi	5
+ PDF Chat	Competing quantum effects in the dynamics of a flexible water model	2009	Scott Habershon Thomas E. Markland David E. Manolopoulos	4
+	Nuclear quantum effects enter the mainstream	2018	Thomas E. Markland Michele Ceriotti	4
+ PDF Chat	Efficient methods and practical guidelines for simulating isotope effects	2013	Michele Ceriotti Thomas E. Markland	4
+ PDF Chat	Non-oscillatory flux correlation functions for efficient nonadiabatic rate theory	2014	Jeremy O. Richardson Michael Thoss	3
+ PDF Chat	Kinetically constrained ring-polymer molecular dynamics for non-adiabatic chemical reactions	2014	Artur R. Menzeleev Franziska Bell Thomas F. Miller	3
+ PDF Chat	Effects of tunnelling and asymmetry for system-bath models of electron transfer	2017	Johann Mattiat Jeremy O. Richardson	3
+ PDF Chat	Ring-polymer instanton theory of electron transfer in the nonadiabatic limit	2015	Jeremy O. Richardson	3
+ PDF Chat	How to remove the spurious resonances from ring polymer molecular dynamics	2014	Mariana Rossi Michele Ceriotti David E. Manolopoulos	3
+ PDF Chat	Analytic continuation of Wolynes theory into the Marcus inverted regime	2017	Joseph E. Lawrence David E. Manolopoulos	3
+ PDF Chat	Semiclassical Green’s functions and an instanton formulation of electron-transfer rates in the nonadiabatic limit	2015	Jeremy O. Richardson Rainer Bauer Michael Thoss	3
+ PDF Chat	i-PI: A Python interface for ab initio path integral molecular dynamics simulations	2013	Michele Ceriotti Joshua N. More David E. Manolopoulos	3
+ PDF Chat	<i>Ab initio</i> instanton rate theory made efficient using Gaussian process regression	2018	Gabriel Laude Danilo Calderini David P. Tew Jeremy O. Richardson	3
+ PDF Chat	Derivation of a true (<i>t</i> → 0+) quantum transition-state theory. I. Uniqueness and equivalence to ring-polymer molecular dynamics transition-state-theory	2013	Timothy J. H. Hele Stuart C. Althorpe	3
+ PDF Chat	Efficient First-Principles Calculation of the Quantum Kinetic Energy and Momentum Distribution of Nuclei	2012	Michele Ceriotti David E. Manolopoulos	2
+ PDF Chat	Quantum delocalization of protons in the hydrogen-bond network of an enzyme active site	2014	Lu Wang Stephen D. Fried Steven G. Boxer Thomas E. Markland	2
+ PDF Chat	On the calculation of quantum mechanical electron transfer rates	2019	Joseph E. Lawrence Theo Fletcher Lachlan P. Lindoy David E. Manolopoulos	2
+ PDF Chat	Rate constants from instanton theory via a microcanonical approach	2017	Sean McConnell Andreas Löhle Johannes Kästner	2
+ PDF Chat	Quantum fluctuations and isotope effects in <i>ab initio</i> descriptions of water	2014	Lu Wang Michele Ceriotti Thomas E. Markland	2
+ PDF Chat	Atom Tunneling in Chemistry	2016	Jan Meisner Johannes Kästner	2
+ PDF Chat	Accelerating the convergence of path integral dynamics with a generalized Langevin equation	2011	Michele Ceriotti David E. Manolopoulos Michele Parrinello	2
+ PDF Chat	Nonadiabatic quantum transition-state theory in the golden-rule limit. I. Theory and application to model systems	2019	Manish Thapa Wei Fang Jeremy O. Richardson	2
+	Advanced mathematical methods for scientists and engineers	1978	Carl M. Bender Steven A. Orszag	2
+ PDF Chat	Reaction rates and kinetic isotope effects of H2 + OH → H2O + H	2016	Jan Meisner Johannes Kästner	2
+ PDF Chat	Path-integral virial estimator based on the scaling of fluctuation coordinates: Application to quantum clusters with fourth-order propagators	2005	Takeshi Yamamoto	2
+ PDF Chat	High order path integrals made easy	2016	Venkat Kapil Jörg Behler Michele Ceriotti	2
+ PDF Chat	Algorithm 448: number of multiply-restricted partitions	1973	Terry Beyer D. F. Swinehart	2
+ PDF Chat	Microcanonical rates from ring-polymer molecular dynamics: Direct-shooting, stationary-phase, and maximum-entropy approaches	2020	Xuecheng Tao Philip Shushkov Thomas F. Miller	2
+ PDF Chat	Microcanonical Rate Constants for Unimolecular Reactions in the Low-Pressure Limit	2020	Ahren W. Jasper	2
+ PDF Chat	Calculation of Reaction Rate Constants in the Canonical and Microcanonical Ensemble	2018	Andreas Löhle Johannes Kästner	2
+ PDF Chat	Tunneling Reaction Kinetics for the Hydrogen Abstraction Reaction H + H<sub>2</sub>S → H<sub>2</sub> + HS in the Interstellar Medium	2017	Thanja Lamberts Johannes Kästner	2
+ PDF Chat	Low-Temperature Kinetic Isotope Effects in CH<sub>3</sub>OH + H → CH<sub>2</sub>OH + H<sub>2</sub> Shed Light on the Deuteration of Methanol in Space	2019	April M. Cooper Johannes Kästner	2
+ PDF Chat	Atom Tunneling in the Water Formation Reaction H<sub>2</sub> + OH → H<sub>2</sub>O + H on an Ice Surface	2017	Jan Meisner Thanja Lamberts Johannes Kästner	2
+ PDF Chat	Path integral molecular dynamics with surface hopping for thermal equilibrium sampling of nonadiabatic systems	2017	Jianfeng Lu Zhennan Zhou	2
+ PDF Chat	Simultaneous Deep Tunneling and Classical Hopping for Hydrogen Diffusion on Metals	2017	Wei Fang Jeremy O. Richardson Ji Chen Xin-Zheng Li Angelos Michaelides	2
+ PDF Chat	Direct simulation of electron transfer using ring polymer molecular dynamics: Comparison with semiclassical instanton theory and exact quantum methods	2011	Artur R. Menzeleev Nandini Ananth Thomas F. Miller	2
+	Path-integral isomorphic Hamiltonian for including nuclear quantum effects in non-adiabatic dynamics	2017	Xuecheng Tao Philip Shushkov Thomas F. Miller	2
+ PDF Chat	Semiclassical analysis of the quantum instanton approximation	2019	Christophe L. Vaillant Manish Thapa Jiří Vaníček Jeremy O. Richardson	2
+ PDF Chat	Mixed quantum-classical dynamics on the exact time-dependent potential energy surface: a fresh look at non-adiabatic processes	2013	Federica Agostini Ali Abedi Yasumitsu Suzuki E. K. U. Gross	1
+ PDF Chat	Mapping quantum-classical Liouville equation: Projectors and trajectories	2012	Aaron Kelly Ramses van Zon Jeremy Schofield Raymond Kapral	1
+ PDF Chat	Mapping variable ring polymer molecular dynamics: A path-integral based method for nonadiabatic processes	2013	Nandini Ananth	1
+ PDF Chat	Exact Factorization of the Time-Dependent Electron-Nuclear Wave Function	2010	Ali Abedi Neepa T. Maitra E. K. U. Gross	1
+	Trigonometric Interpolation Method for One-Dimensional Quantum-Mechanical Problems	1970	R. Meyer	1
+ PDF Chat	Hydrogen dissociation and diffusion on transition metal (=Ti, Zr, V, Fe, Ru, Co, Rh, Ni, Pd, Cu, Ag)-doped Mg(0001) surfaces	2009	Monica Pozzo Dario Alfè	1
+	PLUMED: A portable plugin for free-energy calculations with molecular dynamics	2009	Massimiliano Bonomi Davide Branduardi Giovanni Bussi Carlo Camilloni Davide Provasi Paolo Raiteri Davide Donadio Fabrizio Marinelli Fabio Pietrucci Ricardo A. Broglia	1
+ PDF Chat	Displaced Path Integral Formulation for the Momentum Distribution of Quantum Particles	2010	Lin Lin Joseph A. Morrone Roberto Car Michele Parrinello	1
+	Generalized discrete variable approximation in quantum mechanics	1985	J. C. Light I. P. Hamilton James Lill	1
+ PDF Chat	Communication: <i>Ab initio</i> simulations of hydrogen-bonded ferroelectrics: Collective tunneling and the origin of geometrical isotope effects	2014	Kjartan Thor Wikfeldt Angelos Michaelides	1
+ PDF Chat	Nuclear Quantum Effects in Water	2008	Joseph A. Morrone Roberto Car	1