
DR ALEX HAMILTON
Senior Lecturer in Physical Chemistry,
Father, Husband & Trail runner (not in that order!)
Welcome to the website for the research group of Dr Alex Hamilton. We use a wide variety of computational chemistry methods to try and understand the world around us.
FULLY FUNDED 3.5 YEAR PHD
PhD position using Computational Chemistry & Machine Learning to explore chemical space and design new homogeneous catalysts.


DR ALEX HAMILTON & THE GROUP
Dr Alex Hamilton received his MChem degree from Swansea University and his PhD from University of Bristol. At Bristol, under the supervision of Prof A. Guy Orpen and Prof Jeremy N. Harvey, he developed his expertise in organometallic structural and computational chemistry.
After a two year postdoc at ICIQ (Spain) with Prof Carles Bo and a one year Lectureship at Massey University (NZ), Dr Hamilton joined the Department of Biosciences & Chemistry at Sheffield Hallam University to start his independent career.
The group predominately uses Density Functional Theory (DFT) methods to understand reaction mechanisms in homogeneous organometallic chemistry. However, all chemistry is of interest and collaborations also include hybrid organic-inorganic materials, organo-photocatalysis and protein-drug interactions.
The group is always open to new and interesting collaborations. Visiting researchers and students with access to own funds are encouraged to get in contact. When available, funded positions will be advertised in the News Section.
PUBLICATIONS
Below are selected recent examples:



MERGING CU-CATALYSED C-H FUNCTIONALISATION AND INTRAMOLECULAR ANNULATIONS
ORG. CHEM. FRONT., 2020,7, 1235-1242
UNRAVELLING THE MECHANISM OF COBALT-CATALYSED REMOTE C-H NITRATION OF 8-AMINOQUINOLINAMIDES...
CHEM. SCI., 2020,11, 534-542
A CHALLENGING REDOX NEUTRAL CP*CO(III)-CATALYZED ALKYLATION OF ACETANILIDES WITH 3-BUTEN-2-ONE...
BEILSTEIN J. ORG. CHEM. 2018, 14, 2366–2374


CP*CO(III)‐CATALYZED COUPLING OF BENZAMIDES WITH UNSATURATED CARBONYL COMPOUNDS...
CHEM. EUR. J., 2018, 24, 3584-3589
TOWARDS A SEQUENTIAL ONE‐POT PREPARATION OF 1,2,3‐BENZOTRIAZIN‐4 (3H)‐ONES EMPLOYING A KEY CP*CO(III)‐CATALYZED C−H AMIDATION STEP
ADV. SYNTH. CATAL., 2018, 360, 2324-2332
THE GROUP
These are the people who do most of the work

JACOB EARNSHAW
Jacob is a PhD student joint with Prof Doug Cleaver (MERI). He is using MD simulations to investigate the properties of functionalised POSS cubes, in collaboration with Merck Chemicals.

JACK SLATER
Jack's PhD is looking at the using photocatalysis as a facile route to forming new 3D drug-like molecules. Predominately an experimental chemist working with Dr Danny Allwood, but we don't hold that against him.

PAULA CHIRILA
Paula is a joint PhD student with Dr Chris Whiteoak (University of Alcala, Spain). Her work focuses of Co(III) catalysed C-H functionalisation reactions. Her PhD has produced 6 articles.

PHIL LANE
Phil works on developing novel drug-like molecules for the inhibition of the LSD1 enzyme, in collaboration with Dr Simon Turega. His computational work has gone a long way to understanding the covalent mode-of-action of these drugs.
GET IN TOUCH
BMRC, Department of Biosciences & Chemistry,
Sheffield Hallam University
0114 225 3790