David Manolopoulos
University of Oxford
H-index: 75
Europe-United Kingdom
Top articles of David Manolopoulos
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Exciton dynamics from the mapping approach to surface hopping: Comparison with Forster and Redfield theories | Phys. Chem. Chem. Phys. | Johan E Runeson Thomas P Fay David E Manolopoulos | 2024 |
Fast quasi-centroid molecular dynamics for water and ice | The Journal of Physical Chemistry B | Joseph E Lawrence Annina Z Lieberherr Theo Fletcher David E Manolopoulos | 2023/10/13 |
A multi-state mapping approach to surface hopping | The Journal of Chemical Physics | Johan E Runeson David E Manolopoulos | 2023/9/7 |
Vibrational strong coupling in liquid water from cavity molecular dynamics | The Journal of Chemical Physics | Annina Z Lieberherr Seth TE Furniss Joseph E Lawrence David E Manolopoulos | 2023/6/21 |
2021 JCP Emerging Investigator Special Collection | The Journal of Chemical Physics | Michele Ceriotti Lasse Jensen David E Manolopoulos Todd Martinez David R Reichman | 2023/2/14 |
A smooth basis for atomistic machine learning | The Journal of Chemical Physics | Filippo Bigi Kevin K Huguenin-Dumittan Michele Ceriotti David E Manolopoulos | 2022/12/21 |
Fast quasi-centroid molecular dynamics | The Journal of Chemical Physics | Theo Fletcher Andrew Zhu Joseph E Lawrence David E Manolopoulos | 2021/11/22 |
Chemical physics software | The Journal of Chemical Physics | C David Sherrill David E Manolopoulos Todd J Martínez Michele Ceriotti Angelos Michaelides | 2021/7/7 |
Nuclear quantum effects in thermal conductivity from centroid molecular dynamics | The Journal of Chemical Physics | Benjamin J Sutherland William HD Moore David E Manolopoulos | 2021/5/7 |
Spin relaxation in radical pairs from the stochastic Schrödinger equation | The Journal of Chemical Physics | Thomas P Fay Lachlan P Lindoy David E Manolopoulos | 2021/2/28 |
2020 JCP Emerging Investigator Special Collection | The Journal of Chemical Physics | Michele Ceriotti Lasse Jensen David E Manolopoulos Todd J Martinez Angelos Michaelides | 2021/12/21 |
Path integral methods for reaction rates in complex systems | Faraday discussions | Joseph E Lawrence David E Manolopoulos | 2020 |
Confirming the role of nuclear tunneling in aqueous ferrous–ferric electron transfer | The Journal of Chemical Physics | Joseph E Lawrence David E Manolopoulos | 2020/10/21 |
Quantum coherence in complex environments: general discussion | Faraday Discussions | Antonios M Alvertis William Barford Susannah Bourne Worster Irene Burghardt Animesh Datta | 2020 |
JCP Emerging Investigator Special Collection 2019 | The Journal of Chemical Physics | Mark D Ediger Lasse Jensen David E Manolopoulos Todd J Martinez Angelos Michaelides | 2020/9/21 |
Emerging opportunities and future directions: general discussion | Faraday Discussions | Stuart C Althorpe William Barford Jochen Blumberger Callum Bungey Irene Burghardt | 2020 |
Electronic structure software | The Journal of Chemical Physics | C David Sherrill David E Manolopoulos Todd J Martínez Angelos Michaelides | 2020/8/21 |
How quantum is radical pair magnetoreception? | Faraday discussions | Thomas P Fay Lachlan P Lindoy David E Manolopoulos PJ Hore | 2020 |
A general non-adiabatic quantum instanton approximation | The Journal of Chemical Physics | Joseph E Lawrence David E Manolopoulos | 2020/5/29 |
Quantum mechanical spin dynamics of a molecular magnetoreceptor | The Journal of Chemical Physics | Lachlan P Lindoy Thomas P Fay David E Manolopoulos | 2020/4/30 |
Co-Authors
