Research project

Autonomous Discovery of Advanced Materials

Research groups:

Computational Systems Chemistry
Lead researcher:

Professor Graeme Day
Research funder:

European Union
Status:

Active

Staff

Lead researcher

Professor Graeme Day

Professor of Chemical Modelling

Research interests

crystal structure prediction
materials discovery
computational chemistry

Connect with Graeme

Email: G.M.Day@soton.ac.uk

Collaborating research institutes, centres and groups

Computational Systems Chemistry

Our research covers a broad range of domains from nanoscale materials properties, atmospheric chemistry, through to biological systems.

Research outputs

Exploring polymorphism: hydrochloride salts of pitolisant and analogues

Jessica Patel, Zachary Leduc, Aaron Gabriel Nunez Avila, Joseph Glover, Kelin Wu, Yuxing Zhang, Jing Zhang, Xiaoting Zhai, Huize Jing, Alex M. Chen, Daniel Chartrand, Thierry Maris, Graeme M. Day & James D. Wuest, 2024, Crystal Growth & Design, 24(3), 1268-1283

DOI: 10.1021/acs.cgd.3c01245

Type: article

Modular, multi-robot integration of laboratories: an autonomous workflow for solid-state chemistry

Amy M. Lunt, Hatem Fakhruldeen, Gabriella Pizzuto, Louis Longley, Alexander White, Nicola Rankin, Rob Clowes, Ben Alston, Lucia Gigli, Graeme M. Day, Andrew I. Cooper & Samantha Y. Chong, 2023, Chemical Science

DOI: 10.1039/D3SC06206F

Type: article