Orbit-Based Methods for Multielectron Systems in Strong Fields
Lead Research Organisation:
University of Leeds
Department Name: Sch of Chemistry
Abstract
Abstracts are not currently available in GtR for all funded research. This is normally because the abstract was not required at the time of proposal submission, but may be because it included sensitive information such as personal details.
Organisations
People |
ORCID iD |
| Dmitry Shalashilin (Principal Investigator) |
Publications
Booth J
(2017)
A Blind Test of Computational Technique for Predicting the Likelihood of Peptide Sequences to Cyclize.
in The journal of physical chemistry letters
Das T
(2016)
Shifting nodal-plane suppressions in high-order-harmonic spectra from diatomic molecules in orthogonally polarized driving fields
in Physical Review A
Fernandez-Alberti S
(2016)
Non-adiabatic excited state molecular dynamics of phenylene ethynylene dendrimer using a multiconfigurational Ehrenfest approach.
in Physical chemistry chemical physics : PCCP
Green J
(2015)
Benchmark calculation for tunnelling through a multidimensional asymmetric double well potential
in Chemical Physics Letters
Green JA
(2016)
A two-layer approach to the coupled coherent states method.
in The Journal of chemical physics
Lai X
(2015)
Influence of the Coulomb potential on above-threshold ionization: A quantum-orbit analysis beyond the strong-field approximation
in Physical Review A
Lai X
(2013)
Temporal and spatial interference in molecular above-threshold ionization with elliptically polarized fields
in Physical Review A
Lai X
(2017)
Near-threshold photoelectron holography beyond the strong-field approximation
in Physical Review A
| Description | Here we develop a number of new computational methods to treat the dynamics of quantum systems, such as atoms acted on with strong laser pulses. |
| Exploitation Route | Many experimental and theoretical groups use strong laser pulses to study the structure and dynamics of atoms and molecules. Our new methods can be used to understand experiments and to benchmark theories. |
| Sectors | Chemicals,Energy |
| Description | We have developed several new approaches to computations and quantum dynamics and have shown that they can be applied to simulation of quantum processes in laser field. The results are of the academic nature but in future can be used in more applied projects. The methods developed within this project were implemented in Stanford AIMS software package and used to simulate ultrafast photochemistry, aiming at understanding of how biomolecules can be damaged by UV light. In 2020 computational methods developed in this project have been also implemented in the Los Alamos NEXMD software package, which is used in material science to look at energy transfer in conjugated molecules important in light harvesting. |
| First Year Of Impact | 2015 |
| Sector | Chemicals,Digital/Communication/Information Technologies (including Software),Education,Energy |
| Description | ANUMOCP XXII 2012 Sheffield, Stable Equations of vMCG and Their Comparison with CCS |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | Regional |
| Primary Audience | Professional Practitioners |
| Results and Impact | A poster "Stable Equations of vMCG and Their Comparison with CCS" was presented by Miklos Ronto and Dmitry Shalashilin at ANUMOCP XXII, Sheffield, UK, 14 July 2012: Project postdoc reported his results to colleagues and experts in the field. |
| Year(s) Of Engagement Activity | 2012 |