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David E. Manolopoulos

university of oxford

70H-index
178Paper Count
1.8WCitation Count
Published Papers 94
Publication Date
Charge transport in organic semiconductors from the mapping approach to surface hopping
err2024-10-08
err1
errOAAI
errRuneson, Johan E.; Drayton, Thomas J. G.; Manolopoulos, David E.
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A multi-state mapping approach to surface hopping
err2023-09-07
err24
errOAAI
errRuneson, Johan E.; Manolopoulos, David E.
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Vibrational strong coupling in liquid water from cavity molecular dynamics
err2023-06-16
err18
errOAAI
errLieberherr, Annina Z.; Furniss, Seth T. E.; Lawrence, Joseph E.; Manolopoulos, David E.
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2021 JCP Emerging Investigator Special Collection
err2023-02-13
err0
errOAAI
errCeriotti, Michele; Jensen, Lasse; Manolopoulos, David E.; Martinez, Todd; Reichman, David R.; Sciortino, Francesco; Sherrill, C. David; Shi, Qiang; Vega, Carlos; Wang, Lai-Sheng; Weiss, Emily A.; Zhu, Xiaoyang; Stein, Jenny; Lian, Tianquan
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A smooth basis for atomistic machine learning
err2022-12-15
err6
errOAAI
errBigi, Filippo; Huguenin-Dumittan, Kevin K.; Ceriotti, Michele; Manolopoulos, David E.
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2020 JCP Emerging Investigator Special Collection
err2021-12-16
err1
PREAI
errCeriotti, Michele; Jensen, Lasse; Manolopoulos, David E.; Martinez, Todd J.; Michaelides, Angelos; Ogilvie, Jennifer P.; Reichman, David R.; Shi, Qiang; Straub, John E.; Vega, Carlos; Wang, Lai-Sheng; Weiss, Emily; Zhu, Xiaoyang; Stein, Jennifer L.; Lian, Tianquan
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Fast quasi-centroid molecular dynamics
err2021-12-15
err19
errOAAI
errFletcher, Theo; Zhu, Andrew; Lawrence, Joseph E.; Manolopoulos, David E.
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Chemical physics software
err2021-07-07
err3
errOAAI
errSherrill, C. David; Manolopoulos, David E.; Martinez, Todd J.; Ceriotti, Michele; Michaelides, Angelos
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Nuclear quantum effects in thermal conductivity from centroid molecular dynamics
err2021-05-04
err10
errOAAI
errSutherland, Benjamin J.; Moore, William H. D.; Manolopoulos, David E.
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Spin relaxation in radical pairs from the stochastic Schrodinger equation
err2021-02-26
err13
errOAAI
errFay, Thomas P.; Lindoy, Lachlan P.; Manolopoulos, David E.
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An improved path-integral method for golden-rule rates
err2020-10-21
err12
errOAAI
errLawrence, Joseph E.; Manolopoulos, David E.
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JCP Emerging Investigator Special Collection 2019
err2020-09-17
err2
errOAAI
errEdiger, Mark D.; Jensen, Lasse; Manolopoulos, David E.; Martinez, Todd J.; Michaelides, Angelos; Reichman, David R.; Sherrill, C. David; Shi, Qiang; Straub, John E.; Vega, Carlos; Wang, Lai-Sheng; Brigham, Erinn C.; Lian, Tianquan
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Electronic structure software
err2020-08-17
err43
errOAAI
errSherrill, C. David; Manolopoulos, David E.; Martinez, Todd J.; Michaelides, Angelos
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A general non-adiabatic quantum instanton approximation
err2020-05-27
err11
errOAAI
errLawrence, Joseph E.; Manolopoulos, David E.
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Quantum mechanical spin dynamics of a molecular magnetoreceptor
err2020-04-23
err7
errOAAI
errLindoy, Lachlan P.; Fay, Thomas P.; Manolopoulos, David E.
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Quantum coherence in complex environments: general discussion
err2020-01-01
err5
PREAI
errAlvertis, Antonios M.; Barford, William; Worster, Susannah Bourne; Burghardt, Irene; Datta, Animesh; Dijkstra, Arend; Fay, Thomas; Ghosh, Soumya; Gruenbaum, Tobias; Habershon, Scott; Hore, P. J.; Hutchinson, David; Iyengar, Srinivasan; Jones, Alex R.; Jones, Garth; Komarova, Ksenia; Lawrence, Joseph; Leonard, Jeremie; Litman, Yair; Mannouch, Jonathan; Manolopoulos, David; Martens, Craig; Mondelo-Martell, Manel; Picconi, David; Plant, Dave; Sakaushi, Ken; Saller, Maximilian A. C.; Schile, Addison; Scholes, Gregory D.; Segarra-Marti, Javier; Segatta, Francesco; Troisi, Alessandro; Worth, Graham
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Emerging opportunities and future directions: general discussion
err2020-01-01
err5
PREAI
errAlthorpe, Stuart C.; Barford, William; Blumberger, Jochen; Bungey, Callum; Burghardt, Irene; Datta, Animesh; Ghosh, Soumya; Giannini, Samuele; Grunbaum, Tobias; Habershon, Scott; Hammes-Schiffer, Sharon; Hay, Sam; Iyengar, Srinivasan; Jones, Garth; Kelly, Aaron; Komarova, Ksenia; Lawrence, Joseph; Litman, Yair; Mannouch, Jonathan; Manolopoulos, David; Martens, Craig; Maurer, Reinhard J.; Melander, Marko; Rossi, Mariana; Sakaushi, Ken; Saller, Maximilian; Schile, Addison; Sturniolo, Simone; Trenins, George; Worth, Graham
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How quantum is radical pair magnetoreception?
err2020-01-01
err32
errOAAI
errFay, Thomas P.; Lindoy, Lachlan P.; Manolopoulos, David E.; Hore, P. J.
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