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
Green JA
(2016)
A two-layer approach to the coupled coherent states method.
in The Journal of chemical physics
Maxwell A
(2018)
Analytic quantum-interference conditions in Coulomb corrected photoelectron holography
in Journal of Physics B: Atomic, Molecular and Optical Physics
Green J
(2015)
Benchmark calculation for tunnelling through a multidimensional asymmetric double well potential
in Chemical Physics Letters
Wu J
(2013)
Bohmian-trajectory analysis of high-order-harmonic generation: Ensemble averages, nonlocality, and quantitative aspects
in Physical Review A
Maxwell AS
(2016)
Controlling Below-Threshold Nonsequential Double Ionization via Quantum Interference.
in Physical review letters
Maxwell A
(2017)
Coulomb-corrected quantum interference in above-threshold ionization: Working towards multitrajectory electron holography
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 |