Dr Laura Ratcliff
MPhys, PhD
Current positions
Lecturer
School of Chemistry
Contact
Press and media
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Projects and supervisions
Research projects
UK Car-Parrinello HEC Consortium
Principal Investigator
Managing organisational unit
School of ChemistryDates
01/01/2023 to 31/12/2026
Improving the Performance of Linear-Scaling BigDFT for ARCHER2 and Beyond
Principal Investigator
Managing organisational unit
School of ChemistryDates
01/09/2022 to 31/07/2023
8084 - EP/P033253/1 - Multi-Scale Framework for Quantum Mechanical Simulations of Organic Electronics
Principal Investigator
Managing organisational unit
School of ChemistryDates
05/01/2022 to 31/08/2023
Publications
Recent publications
11/06/2024Exploratory data science on supercomputers for quantum mechanical calculations
Electronic Structure
Revealing the Bonding Nature and Electronic Structure of Early-Transition-Metal Dihydrides
PRX Energy
Complexity reduction in density functional theory: Locality in space and energy
The Journal of Chemical Physics
Rapid laser-induced low temperature crystallization of thermochromic VO2 sol-gel thin films
Applied Surface Science
Probing disorder in 2CzPN using core and valence states
Physical Chemistry Chemical Physics