Co-Directors
- Dr Feliciano Giustino, Lecturer in Materials Modelling
- Dr Jonathan Yates, Lecturer in Materials Modelling
Academic Staff
- Prof Paul Madden FRS, Provost of The Queen's College
- Prof David Pettifor CBE FRS, Emeritus Professor
Senior Research Fellows
- Dr Aleksey Kolmogorov, EPSRC Career Acceleration Fellow
Research Fellows
- Dr Hannes Huebener
- Dr Daniel Jones
- Dr Elena Roxana Margine, Marie Curie Fellow
- Dr Benjamin Morgan
- Dr Rebecca Nicholls
Non-academic Staff
- Kay Davies, PA to Prof Pettifor
- Dr Paul Warren, MML Manager
Research Students
- John Drain
- Marina Filip
- Harry Fisher
- Michael Ford
- Jan Gehrmann
- Timothy Green
- Paul Kamenski
- Henry Lambert
- Charlotte Lynch
- Keian Noori
- Christopher Patrick
- Sheena Shah
Visitors
- Dr Victor Burlakov
- Natalie Tillack
Past Members
- Bernhard Seiser (DPhil 2007-2011)
- Miguel Osorio (visiting student 2010/2011)
- Dr. Uli Weber (DPhil 2006-2010)
- Maria Chapman (Summer Student 2010 & 2011)
- Celine Merlet (visiting student 2010)
- Joshua Tsang (PtII student 2009-2010)
- Kilian Bärwinkel (visiting student 2009-2010)
- Dr Ling Ge
- Dr Ed Tarleton
- Dr Zhongfu Zhou
- Nicola Bonini (Kings College London), Senior Research Fellow from Apr 2010 to Aug 2011
- Andrea Ferretti, (Universitā di Modena-Reggio Emilia), Postdoc until Mar 2011
- Oliviero Andreussi (EPFL), MIT postdoc and visitor from Jan 2010 to Aug 2011
- Timo Thonhauser (Wake Forest), visitor from Jan 2011 to Jul 2011
- Davide Ceresoli (CNR), Senior Research Fellow from Jul 2010 to Sep 2011
- Dr Cheol-Hwan Park