个人简历

My area of research is theoretical and concentrates on the quantum dynamical aspect of molecular processes. Motivation for this work is driven by the desire to gain deep insight and understanding of molecular behaviour at the most detailed level. I am involved with the development of new theoretical and computational methods in quantum dynamics, and in the application of these methods to key areas of chemical interest, such as:
Proton transfer
Charge and Excitation energy transfer
Solvation dynamics

近期论文

Vibrational relaxation and decoherence in structured environments: a numerical investigation, M. Bonfanti, K. H. Hughes, I. Burghardt and R. Martinazzo, Ann. der Phys., 527, 556 (2015); doi: 10.1002/andp.201500144
Quantum dynamics of hydrogen atoms on graphene. I. System-bath modelling, M. Bonfanti, B. Jackson, K. H. Hughes, I. Burghardt and R. Martinazzo, J. Chem. Phys., 143, 124703 (2015); doi: 10.1063/1.4931116.
Quantum dynamics of hydrogen atoms on graphene. II. Sticking, M. Bonfanti, B. Jackson, K. H. Hughes, I. Burghardt and R. Martinazzo, J. Chem. Phys., 143, 124703 (2015); doi: 10.1063/1.4931117.
Non-Markovian reduced dynamics of ultrafast charge transfer at an aligothiophene-fullerene heterojunction,
K. H. Hughesm, B. Cahier, R. Martinazzo, H. Tamura and I. Burghardt, Chem. Phys. 442, 111, (2014).
(FEMTO 11 special issue)
DOI: 10.1016/j.chemphys.2014.06.015
Compact MCTDH Wave Functions for High-Dimensional System-Bath Quantum Dynamics, M. Bonfanti, G. F. Tantardini, K. H. Hughes, R. Martinazzo, and I. Burghardt, J. Phys. Chem. A, 116, 11406 (2012); doi: 10.1021/jp3064504
Non-Markovian reduced dynamics based upon a hierarchical effective-mode representation, Irene Burghardt, Rocco Martinazzo and Keith H. Hughes, J. Chem. Phys. 137, 144107 (2012); doi:10.1063/1.4752078
Maximum-entropy closure of hydrodynamic moment hierarchies including correlations, Keith H. Hughes and Irene Burghardt, J. Chem. Phys. 136, 214109 (2012); doi:10.1063/1.4720568
Extended hydrodynamic approach to quantum-classical nonequilibrium evolution. II. Application to nonpolar solvation,
Keith H. Hughes, Sean N. Baxter, David Bousquet, Padmanaban Ramanathan, and Irene Burghardt, J. Chem. Phys. 136, 014102 (2012); doi:10.1063/1.3671378
Unraveling a Brownian particle’s memory with effective mode chains,
R. Martinazzo, K. H. Hughes and I. Burghardt, Phys. Rev. E 84, 030102(R) (2011)
Extended hydrodynamic approach to quantum-classical nonequilibrium evolution I.
Theory D. Bousquet, K. H. Hughes, D. A. Micha, and I. Burghardt, J. Chem. Phys., 134, 064116, (2011)
Universal Markovian reduction of Brownian particle dynamics
R. Martinazzo, B. Vacchini, K. H. Hughes, and I. Burghardt,
J. Chem. Phys. (Comm.), 134, 011101, (2011)
Effective spectral densities for system-environment dynamics at conical intersections: S2-S1 conical intersection in pyrazine.
R. Martinazzo, K. H. Hughes, F. Martelli and I Burghardt,
Chem. Phys. 377, (2010), 21-29.
Effective-mode representation of non-Markovian dynamics: A hierarchical approximation of the spectral density. II. Application to environment-induced nonadiabatic dynamics
K. H. Hughes, C. D. Christ, I. Burghardt