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David E Manolopoulos

Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2018-2023
Publications (10 Years): 13

Top Venues

The Journal of chemical physics

University of Oxford

This page only lists publications with an associated author ORCID identifier.

Affiliation History

University of Oxford Sep 1o 1995

United Kingdom

Professor of Theoretical Chemistry :: Chemistry

Publications

Michele Ceriotti, Lasse Jensen, David E Manolopoulos, Todd J Martinez, David R Reichman, Francesco Sciortino, C David Sherrill, Qiang Shi, Carlos Vega, Lai-Sheng Wang, Emily Allyn Weiss, Xiaoyang Zhu, Jennifer L Stein, Tianquan Lian
2021 JCP Emerging Investigator Special Collection. The Journal of chemical physics 158 (6) (2023)
Annina Z Lieberherr, Seth T E Furniss, Joseph E Lawrence, David E Manolopoulos
Vibrational strong coupling in liquid water from cavity molecular dynamics. The Journal of chemical physics 158 (23) (2023)
Michele Ceriotti, Lasse Jensen, David E Manolopoulos, Todd J Martinez, Angelos Michaelides, Jennifer P Ogilvie, David R Reichman, Qiang Shi, John E Straub, Carlos Vega, Lai-Sheng Wang, Emily Allyn Weiss, Xiaoyang Zhu, Jennifer L Stein, Tianquan Lian
2020 JCP Emerging Investigator Special Collection. The Journal of chemical physics 155 (23) (2022)
Filippo Bigi, Kevin K Huguenin-Dumittan, Michele Ceriotti, David E Manolopoulos
A smooth basis for atomistic machine learning. The Journal of chemical physics 157 (23) (2022)
C David Sherrill, David E Manolopoulos, Todd J Martinez, Michele Ceriotti, Angelos Michaelides
Chemical physics software. The Journal of chemical physics 155 (1) (2021)
Mark D Ediger, Lasse Jensen, David E Manolopoulos, Todd J Martinez, Angelos Michaelides, David R Reichman, C David Sherrill, Qiang Shi, John E Straub, Carlos Vega, Lai-Sheng Wang, Erinn C Brigham, Tianquan Lian
JCP Emerging Investigator Special Collection 2019. The Journal of chemical physics 153 (11) (2021)
Lachlan P Lindoy, Thomas P Fay, David E Manolopoulos
Quantum mechanical spin dynamics of a molecular magnetoreceptor. The Journal of chemical physics 152 (16) (2020)
Joseph E Lawrence, David E Manolopoulos
An analysis of isomorphic RPMD in the golden rule limit. The Journal of chemical physics 151 (24) (2020)
C David Sherrill, David E Manolopoulos, Todd J Martinez, Angelos Michaelides
Electronic structure software. The Journal of chemical physics 153 (7) (2020)
Thomas P Fay, Lachlan P Lindoy, David E Manolopoulos
Electron spin relaxation in radical pairs: Beyond the Redfield approximation. The Journal of chemical physics 151 (15) (2019)
Joseph E Lawrence, Theo Fletcher, Lachlan P Lindoy, David E Manolopoulos
On the calculation of quantum mechanical electron transfer rates. The Journal of chemical physics 151 (11) (2019)
Alan M Lewis, Thomas P Fay, David E Manolopoulos, Christian Kerpal, Sabine Richert, Christiane R Timmel
On the low magnetic field effect in radical pair reactions. The Journal of chemical physics 149 (3) (2018)
Thomas P Fay, Lachlan P Lindoy, David E Manolopoulos
Spin-selective electron transfer reactions of radical pairs: Beyond the Haberkorn master equation. The Journal of chemical physics 149 (6) (2018)

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Publication Activity (10 Years)

Top Topics

Top Venues

David E Manolopoulos