Jeremy O. Richardson

发表

Instanton calculations of tunneling splittings in chiral molecules

Nityananda Sahu, Jeremy O. Richardson, Robert Berger, 2020, J. Comput. Chem..

Non-oscillatory flux correlation functions for efficient nonadiabatic rate theory.

Jeremy O. Richardson, M. Thoss, 2014, The Journal of chemical physics.

Concerted hydrogen-bond breaking by quantum tunneling in the water hexamer prism

Brooks H. Pate, Zbigniew Kisiel, Berhane Temelso, 2016, Science.

Ring-polymer instanton theory

Jeremy O. Richardson, 2018 .

Path‐Integral Approaches to Non‐Adiabatic Dynamics

Maximilian A C Saller, Jeremy O. Richardson, J. Runeson, 2020 .

Nonadiabatic quantum transition-state theory in the golden-rule limit. I. Theory and application to model systems.

Jeremy O. Richardson, W. Fang, Manish J Thapa, 2018, The Journal of chemical physics.

Communication: nonadiabatic ring-polymer molecular dynamics.

Michael Thoss, Jeremy O Richardson, Jeremy O. Richardson, 2013, The Journal of chemical physics.

Ring-polymer molecular dynamics rate-theory in the deep-tunneling regime: Connection with semiclassical instanton theory.

Stuart C Althorpe, Jeremy O Richardson, Jeremy O. Richardson, 2009, The Journal of chemical physics.

Kinetic isotope effects and how to describe them

Markus Meuwly, Konstantin Karandashev, Jiří Vaníček, 2017, Structural dynamics.

Molecular-Level Insights on Reactive Arrangement in On-Surface Photocatalytic Coupling Reactions Using Tip-Enhanced Raman Spectroscopy.

Jeremy O. Richardson, R. Zenobi, S. De Feyter, 2021, Journal of the American Chemical Society.

Revisiting nuclear tunnelling in the aqueous ferrous-ferric electron transfer.

Jeremy O. Richardson, W. Fang, Rhiannon A Zarotiadis, 2019, Physical chemistry chemical physics : PCCP.

Instanton theory of tunneling in molecules with asymmetric isotopic substitutions.

Jeremy O. Richardson, E. Jahr, Gabriel Laude, 2020, The Journal of chemical physics.

Ring-polymer instanton theory of electron transfer in the nonadiabatic limit.

Jeremy O. Richardson, 2015, The Journal of chemical physics.

Divide-and-Conquer Method for Instanton Rate Theory.

Jeremy O. Richardson, P. Winter, 2019, Journal of chemical theory and computation.

Spin-mapping approach for nonadiabatic molecular dynamics.

Jeremy O. Richardson, J. Runeson, 2019, The Journal of chemical physics.

Nonadiabatic instanton rate theory beyond the golden-rule limit.

Jeremy O. Richardson, George Trenins, 2022, The Journal of chemical physics.

A partially linearized spin-mapping approach for nonadiabatic dynamics. II. Analysis and comparison with related approaches.

Jeremy O. Richardson, Jonathan R Mannouch, 2020, The Journal of chemical physics.

A partially linearized spin-mapping approach for nonadiabatic dynamics. I. Derivation of the theory.

Jeremy O. Richardson, Jonathan R Mannouch, 2020, The Journal of chemical physics.

On the identity of the identity operator in nonadiabatic linearized semiclassical dynamics.

Maximilian A C Saller, Jeremy O. Richardson, Aaron Kelly, 2018, The Journal of chemical physics.

Explaining the Efficiency of Photosynthesis: Quantum Uncertainty or Classical Vibrations?

Jeremy O. Richardson, Jonathan R Mannouch, J. Runeson, 2022, The journal of physical chemistry letters.

Calculations of quantum tunnelling rates for muonium reactions with methane, ethane and propane.

Jeremy O. Richardson, R. Welsch, D. Calderini, 2020, Physical chemistry chemical physics : PCCP.

Semiclassical analysis of the quantum instanton approximation.

Jeremy O. Richardson, J. Vaníček, Manish J Thapa, 2019, The Journal of chemical physics.

Spin Crossover of Thiophosgene via Multidimensional Heavy-Atom Quantum Tunneling.

Jeremy O. Richardson, E. Heller, 2021, Journal of the American Chemical Society.

Origins of fast diffusion of water dimers on surfaces

Jeremy O. Richardson, A. Michaelides, Xin-Zheng Li, 2020, Nature Communications.

Full- and reduced-dimensionality instanton calculations of the tunnelling splitting in the formic acid dimer.

Jeremy O. Richardson, 2016, Physical chemistry chemical physics : PCCP.

Generalized spin mapping for quantum-classical dynamics.

Jeremy O. Richardson, J. Runeson, 2019, The Journal of chemical physics.

Quasiclassical approaches to the generalized quantum master equation

Maximilian A C Saller, Jeremy O. Richardson, Aaron Kelly, 2022, 2209.01076.

Quasiclassical approaches to the generalized quantum master equation.

Maximilian A C Saller, Jeremy O. Richardson, Aaron Kelly, 2022, The Journal of chemical physics.

Microcanonical and thermal instanton rate theory for chemical reactions at all temperatures.

Jeremy O. Richardson, 2016, Faraday discussions.

Ion-mediated hydrogen-bond rearrangement through tunnelling in the iodide–dihydrate complex

Jeremy O. Richardson, F. Paesani, P. Bajaj, 2019, Nature Chemistry.

Simultaneous Deep Tunneling and Classical Hopping for Hydrogen Diffusion on Metals.

Jeremy O. Richardson, A. Michaelides, Xin-Zheng Li, 2017, Physical review letters.

Investigation of terahertz vibration-rotation tunneling spectra for the water octamer.

Jeremy O. Richardson, D. Wales, M. Viant, 2013, The journal of physical chemistry. A.

Ring-Polymer Approaches to Instanton Theory

Jeremy O. Richardson, 2012 .

On detailed balance in nonadiabatic dynamics: From spin spheres to equilibrium ellipsoids.

Jeremy O. Richardson, J. Runeson, G. Amati, 2022, The Journal of chemical physics.

Instanton formulation of Fermi's golden rule in the Marcus inverted regime.

Jeremy O. Richardson, E. Heller, 2019, The Journal of chemical physics.

Semiclassical Green's functions and an instanton formulation of electron-transfer rates in the nonadiabatic limit.

Jeremy O. Richardson, M. Thoss, R. Bauer, 2015, The Journal of chemical physics.

Elucidating the Nuclear Quantum Dynamics of Intramolecular Double Hydrogen Transfer in Porphycene

Mariana Rossi, Yair Litman, Jeremy O Richardson, 2018, Journal of the American Chemical Society.

Quantum Tunneling Rates of Gas-Phase Reactions from On-the-Fly Instanton Calculations.

Stuart C Althorpe, Jeremy O Richardson, Judith B. Rommel, 2016, The journal of physical chemistry letters.

Derivation of instanton rate theory from first principles.

Jeremy O Richardson, Jeremy O. Richardson, 2015, The Journal of chemical physics.

Ring-polymer instanton method for calculating tunneling splittings.

Stuart C Althorpe, Jeremy O Richardson, Jeremy O. Richardson, 2011, The Journal of chemical physics.

Instanton theory for Fermi’s golden rule and beyond

Jeremy O. Richardson, E. Heller, George Trenins, 2022, Philosophical Transactions of the Royal Society A.

Semiclassical instanton formulation of Marcus-Levich-Jortner theory.

Jeremy O. Richardson, E. Heller, 2020, The Journal of chemical physics.

Effects of tunnelling and asymmetry for system-bath models of electron transfer.

Jeremy O. Richardson, Johann Mattiat, 2017, The Journal of chemical physics.

Perspective: Ring-polymer instanton theory.

Jeremy O Richardson, Jeremy O. Richardson, 2018, The Journal of chemical physics.

Nanometre-scale spectroscopic visualization of catalytic sites during a hydrogenation reaction on a Pd/Au bimetallic catalyst

Jeremy O. Richardson, B. Ren, Jian-feng Li, 2020, Nature Catalysis.

Improved population operators for multi-state nonadiabatic dynamics with the mixed quantum-classical mapping approach.

Maximilian A C Saller, Jeremy O. Richardson, Aaron Kelly, 2019, Faraday discussions.

Quantum Tunnelling Driven H2 Formation on Graphene.

Jeremy O. Richardson, M. Stamatakis, Ji Chen, 2022, The journal of physical chemistry letters.

Transfer Learning for Affordable and High-Quality Tunneling Splittings from Instanton Calculations.

Jeremy O. Richardson, M. Meuwly, Silvan Käser, 2022, Journal of chemical theory and computation.

Ring-Polymer Instanton Tunneling Splittings of Tropolone and Isotopomers using a Δ-Machine Learned CCSD(T) Potential: Theory and Experiment Shake Hands

Francesco A. Evangelista, Jeremy O. Richardson, J. Bowman, 2023, Journal of the American Chemical Society.

Exact tunneling splittings from symmetrized path integrals

Jeremy O. Richardson, George Trenins, L. Meuser, 2023, 2305.11002.

Perturbatively corrected ring-polymer instanton theory for accurate tunneling splittings.

Jeremy O. Richardson, Joseph E. Lawrence, Jindrich Dusek, 2023, The Journal of chemical physics.

Heavy‐Atom Quantum Tunnelling in Spin Crossovers of Nitrenes

Jeremy O. Richardson, E. Heller, 2022, Angewandte Chemie.

Ab initio instanton rate theory made efficient using Gaussian process regression.

Jeremy O Richardson, David P Tew, Danilo Calderini, 2018, Faraday discussions.

Instanton calculations of tunneling splittings for water dimer and trimer.

Jeremy O. Richardson, D. Wales, S. Althorpe, 2011, The Journal of chemical physics.

Tunnelling assisted hydrogen elimination mechanisms of FeCl3/TEMPO.

Jeremy O. Richardson, Shijun Li, D. Fang, 2021, Chemical communications.

Improved microcanonical instanton theory

Jeremy O. Richardson, Joseph E Lawrence, Joseph E. Lawrence, 2022, Faraday discussions.

Quantum Dynamics in Water Clusters

Marko T. Cvitas, Jeremy O. Richardson, 2021 .

Microcanonical Tunneling Rates from Density-of-States Instanton Theory.

Jeremy O. Richardson, W. Fang, P. Winter, 2020, Journal of chemical theory and computation.

Quantum tunnelling pathways of the water pentamer.

Marko T. Cvitas, Jeremy O. Richardson, 2019, Physical chemistry chemical physics : PCCP.

Spin-Mapping Methods for Simulating Ultrafast Nonadiabatic Dynamics.

Jeremy O. Richardson, Jonathan R Mannouch, J. Runeson, 2022, Chimia.

A partially linearized spin-mapping approach for simulating nonlinear optical spectra.

Jeremy O. Richardson, Jonathan R Mannouch, 2021, The Journal of chemical physics.

Machine learning of double-valued nonadiabatic coupling vectors around conical intersections.

Jeremy O. Richardson, 2023, The Journal of chemical physics.

How Quantum is the Resonance Behavior in Vibrational Polariton Chemistry?

Jeremy O. Richardson, J. Runeson, Joseph E Lawrence, 2023, The journal of physical chemistry letters.

A mapping approach to surface hopping.

Jeremy O. Richardson, Jonathan R Mannouch, 2022, The Journal of chemical physics.

Benchmarking Quasiclassical Mapping Hamiltonian Methods for Simulating Electronically Nonadiabatic Molecular Dynamics.

Maximilian A C Saller, Jeremy O. Richardson, Eitan Geva, 2020, Journal of chemical theory and computation.

Robust Gaussian Process Regression method for efficient reaction pathway optimization: application to surface processes

Jeremy O. Richardson, Wei Fang, Yu-Cheng Zhu, 2023, 2304.14596.

Nonadiabatic quantum transition-state theory in the golden-rule limit. II. Overcoming the pitfalls of the saddle-point and semiclassical approximations.

Jeremy O. Richardson, W. Fang, Manish J. Thapa, 2019, The Journal of chemical physics.

An analysis of nonadiabatic ring-polymer molecular dynamics and its application to vibronic spectra

Jeremy O. Richardson, M. Thoss, Marc-Oliver Pleinert, 2016, 1609.00644.

Quantum Entanglement from Classical Trajectories

Jeremy O. Richardson, J. Runeson, 2021, Physical Review Letters.

Supporting Information: Simultaneous deep tunneling and classical hopping for hydrogen diﬀusion on metals

Jeremy O. Richardson, A. Michaelides, Xin-Zheng Li, 2017 .

Semiclassical Green's functions and an instanton formulation of electron-transfer rates in the nonadiabatic limit.

Jeremy O. Richardson, M. Thoss, R. Bauer, 2015, The Journal of chemical physics.

Stress Test for Quantum Dynamics Approximations: Deep Tunneling in the Muonium Exchange Reaction D + HMu → DMu + H.

Jeremy O. Richardson, W. Green, Y. V. Suleimanov, 2014, The journal of physical chemistry letters.

Exact tunneling splittings from symmetrized path integrals.

Jeremy O. Richardson, George Trenins, L. Meuser, 2023, The Journal of chemical physics.

Recovering Marcus Theory Rates and Beyond without the Need for Decoherence Corrections: The Mapping Approach to Surface Hopping

Jeremy O. Richardson, Jonathan R Mannouch, Joseph E Lawrence, 2023, The journal of physical chemistry letters.

Detailed balance in mixed quantum-classical mapping approaches.

Jeremy O. Richardson, Jonathan R Mannouch, G. Amati, 2023, The Journal of chemical physics.

Nonadiabatic quantum transition-state theory in the golden-rule limit. II. Overcoming the pitfalls of the saddle-point and semiclassical approximations.

Jeremy O. Richardson, W. Fang, Manish J. Thapa, 2019, The Journal of chemical physics.