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Research Associate

I've recently completed my PhD at The University of Manchester, where I worked on force field design for molecular simulations. I was involved with the use of machine learning techniques as a means to impart conformational dependence to various atomic properties, as obtained through a Bader decomposition. I'm now working on porting Quantum Monte Carlo algorithms to reconfigurable hardware devices (FPGAs), as a part of the EXTRA initiative (https://www.extrahpc.eu/).

In my spare time, I'm a competitive ballroom and latin dancer, and enjoy reading about various esoteric topics in stochastic mathematics.

Publications

Field-Programmable Gate Arrays and Quantum Monte Carlo: Power Efficient Co-processing for Scalable High-Performance Computing
S Cardamone, JRR Kimmitt, HGA Burton, TJ Todman, S Li, W Luk, AJW Thom
– International Journal of Quantum Chemistry
(2019)
119,
e25853
Modeling Electron Transfers Using Quasidiabatic Hartree-Fock States.
KT Jensen, RL Benson, S Cardamone, AJW Thom
– J Chem Theory Comput
(2018)
14,
4629
Geometry Optimization with Machine Trained Topological Atoms
F Zielinski, PI Maxwell, TL Fletcher, SJ Davie, N Di Pasquale, S Cardamone, MJL Mills, PLA Popelier
– Scientific Reports
(2017)
7,
12817
The prediction of topologically partitioned intra-atomic and inter-atomic energies by the machine learning method kriging
P Maxwell, N di Pasquale, S Cardamone, PLA Popelier
– Theoretical Chemistry Accounts
(2016)
135,
195
The computational prediction of Raman and ROA spectra of charged histidine tautomers in aqueous solution
S Cardamone, BA Caine, E Blanch, MG Lizio, PLA Popelier
– Phys Chem Chem Phys
(2016)
18,
27377
Prediction of conformationally dependent atomic multipole moments in carbohydrates
S Cardamone, PLA Popelier
– J Comput Chem
(2015)
36,
2361
Realistic sampling of amino acid geometries for a multipolar polarizable force field.
TJ Hughes, S Cardamone, PLA Popelier
– Journal of computational chemistry
(2015)
36,
1844
Multipolar electrostatics.
S Cardamone, TJ Hughes, PLA Popelier
– Physical chemistry chemical physics : PCCP
(2014)
16,
10367

Postdoctoral researcher

Telephone number

01223 336471 (shared)

Research Interests