Classical and quantum dynamics in condensed phase simulations H Jónsson, G Mills, KW Jacobsen, BJ Berne, G Ciccotti, DF Coker
World Scientific, 1998
1435 1998 Oxygen defects in phosphorene A Ziletti, A Carvalho, DK Campbell, DF Coker, AH Castro Neto
Phys. Rev. Lett. 114, 046801, 2015
622 2015 Using coherence to enhance function in chemical and biophysical systems GD Scholes, GR Fleming, LX Chen, A Aspuru-Guzik, A Buchleitner, ...
Nature 543 (7647), 647-656, 2017
605 2017 Transport properties of pristine few-layer black phosphorus by van der Waals passivation in an inert atmosphere RA Doganov, ECT O’farrell, SP Koenig, Y Yeo, A Ziletti, A Carvalho, ...
Nature communications 6 (1), 6647, 2015
528 2015 Quantum biology revisited J Cao, RJ Cogdell, DF Coker, HG Duan, J Hauer, U Kleinekathöfer, ...
Science Advances 6 (14), eaaz4888, 2020
379 2020 The infrared predissociation spectra of water clusters DF Coker, RE Miller, RO Watts
The Journal of chemical physics 82 (8), 3554-3562, 1985
376 1985 Methods for molecular dynamics with nonadiabatic transitions DF Coker, L Xiao
The Journal of chemical physics 102 (1), 496-510, 1995
372 1995 Classical and quantum dynamics in condensed phase simulations: Proceedings of the International School of Physics BJ Berne, G Ciccotti, DF Coker
World Scientific, 1998
365 1998 Creating a stable oxide at the surface of black phosphorus MT Edmonds, A Tadich, A Carvalho, A Ziletti, KM O’Donnell, SP Koenig, ...
ACS applied materials & interfaces 7 (27), 14557-14562, 2015
361 2015 Phosphorene oxides: Bandgap engineering of phosphorene by oxidation A Ziletti, A Carvalho, PE Trevisanutto, DK Campbell, DF Coker, AHC Neto
Physical Review B 91 (8), 085407, 2015
210 2015 Path integral Monte Carlo studies of the behavior of excess electrons in simple fluids DF Coker, BJ Berne, D Thirumalai
The Journal of chemical physics 86 (10), 5689-5702, 1987
194 1987 Structure and vibrational spectroscopy of the water dimer using quantum simulation DF Coker, RO Watts
Journal of Physical Chemistry 91 (10), 2513-2518, 1987
174 1987 Nonadiabatic molecular dynamics simulation of photodissociation and geminate recombination of I2 liquid xenon VS Batista, DF Coker
The Journal of chemical physics 105 (10), 4033-4054, 1996
165 1996 Efficient energy transfer in light-harvesting systems, III: The influence of the eighth bacteriochlorophyll on the dynamics and efficiency in FMO J Moix, J Wu, P Huo, D Coker, J Cao
The Journal of Physical Chemistry Letters 2 (24), 3045-3052, 2011
164 2011 LAND-map, a linearized approach to nonadiabatic dynamics using the mapping formalism S Bonella, DF Coker
The Journal of chemical physics 122 (19), 2005
162 2005 Communication: Partial linearized density matrix dynamics for dissipative, non-adiabatic quantum evolution P Huo, DF Coker
The Journal of chemical physics 135 (20), 2011
156 2011 Iterative linearized density matrix propagation for modeling coherent excitation energy transfer in photosynthetic light harvesting P Huo, DF Coker
The Journal of chemical physics 133 (18), 2010
150 2010 Nonadiabatic molecular dynamics simulation of ultrafast pump-probe experiments on in solid rare gases VS Batista, DF Coker
The Journal of chemical physics 106 (17), 6923-6941, 1997
149 1997 Semiclassical path integral dynamics: Photosynthetic energy transfer with realistic environment interactions MK Lee, P Huo, DF Coker
Annual review of physical chemistry 67, 639-668, 2016
136 2016 Modeling electronic-nuclear interactions for excitation energy transfer processes in light-harvesting complexes MK Lee, DF Coker
The Journal of Physical Chemistry Letters 7 (16), 3171-3178, 2016
127 2016