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Dr Salvatore Cardamone

Publications

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 computational prediction of Raman and ROA spectra of charged histidine tautomers in aqueous solution
S Cardamone, BA Caine, E Blanch, MG Lizio, PLA Popelier
– Physical chemistry chemical physics : PCCP
(2016)
18,
27377
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,
ARTN 195
Prediction of conformationally dependent atomic multipole moments in carbohydrates
S Cardamone, PLA Popelier
– Journal of Computational Chemistry
(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

Research Group

Telephone number

01223 336471 (shared)

Email address

sc2018@cam.ac.uk