Principal investigator

Arash Mostofi

Department of Materials (map)
Imperial College London
Exhibition Road
London SW7 2AZ
T: +44 (0)20 7594 8154
E: a.mostofi@imperial.ac.uk

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Post-doctoral researchers

• Valerio Vitale (development and application of maximally-localised Wannier functions)
• Laura Ratcliff (development and application of linear-scaling DFT)
• Joseph Prentice (development and application of linear-scaling DFT)

PhD students

• Nicola Molinari (theory and simulation of elastomers)
• Chris Ablitt (negative thermal expansion of layered perovskites)
• Jacek Golebiowski (electronic transport in functionalized carbon nanotubes)
• Martik Aghajanian (adsorbate engineering in 2D semiconductors)
• Yiyuan (Amy) Wang (charge injection at polymer-metal interfaces)

Masters students

• Charles Johnson (theory and simulation with maximally-localised Wannier functions)
• Frederico Delgado (theory and simulation of thermoelectric materials)
• Thibaut Wohrer (theory and simulation of thermoelectric materials)
• Baptiste Bienvenu (high-throughput workflows for structure and property determination in epitaxial perovskite oxides)

Alumni

• Andrea Greco (PDRA 2017, development and application of linear-scaling DFT)
  Current position: Software Developer, Quantexa
• Fabiano Corsetti (PDRA 2015-17, development and application of linear-scaling DFT)
  Current position: Scientific Software Specialist, Quantumwise
• Jordan Muscatello (PDRA 2013-16, theory and simulation of desalination membranes)
• Nicholas Hine (PDRA 2009-12, large-scale DFT, nanostructures for energy)
  Current position: Assistant Professor, Department of Physics, Warwick University
• Andrea Greco (PhD 2017, Development and application of first-principles methods for complex oxide surfaces and interfaces, PDRA 2017)
  Current position: Software Developer, Quantexa
• Musab Khawaja (PhD 2016, Modelling the permeability of nitrile rubber)
  Current position: Applications Engineer in Data Science, Mathworks
• Chenlu Cheng (visiting PhD student from Tsinghua University, 2015; defects in electroceramics)
• Jawad AlSaei (PhD 2015, Theory and simulation of electronic and optical properties of thin film barium strontium titanate)
  Current position: Assistant Professor, School of Science, University of Bahrain
• Rob Bell (PhD 2015, Large scale simulation of conduction in carbon nanotube networks)
  Current position: Senior Software Engineer at Mind Foundry
• Richard Broadbent (PhD 2014, A model for polymer membranes)
  Current position: Technologist, Rolls Royce
• Joseph Fallon (PhD 2014, Multiscale theory and simulation of barium titanate)
  Current position: HMRC
• Lampros Andrinopoulos (PhD 2013, Including van der Waals interactions in first-principles electronic structure calculations)
  Current position: Teacher of Physics and Mathematics at Latymer Upper School
• Fabiano Corsetti (PhD 2012, On the properties of point defects in silicon nanostructure from ab initio calculations)
  Current position: Scientific Software Specialist, Quantumwise
• Matthew Shelley (PhD 2011, Theory and simulation of semiconducting nanowires for thermoelectric applications)
  Current position: Analyst, Accenture
• David O’Regan (PhD 2011, On optimised projections for the ab initio simulation of strongly-correlated systems)
  Current position: Assistant Professor, School of Physics, Trinity College Dublin
• Hatem Helal (PhD 2011, Including solvent effects in first-principles simulations of biological systems)
  Current position: Software Developer, MathWorks
• Christopher Pointon (2008-09, first-principles spectroscopy)
• Wuwei Jin (MSc 2017, hydrogen atoms on graphene)
• Yiyuan (Amy) Wang (MSc 2017, band-gap engineering of perovskite oxide thin films via epitaxial strain)
• Shangyuan Li (MSc 2017, multi-scale modelling of adsorbates on graphene)
• Jarand Narbuvold (MSc 2014, charge transport in molecular wires)
• Nuttibase Charupeng (MEng 2016, durability of cementitious materials)
• Khang Le (MEng 2016, band gap engineering of perovskite oxide materials)
• Radu Miron (MSci 2016, algorithms for computing maximally-localised Wannier functions)
• Behnam Najafi (MSci 2013, charge transport in semiconductor nanowires)
• William Parfitt (MSci 2013, charge transport in semiconductor nanowires)
• Bradley Bosher (MSci 2012, charge transport in molecular wires)
• Daniel Benstock (MSci 2012, charge transport in molecular wires)
• Nina Kearsey (MSci 2010, MSc 2011, magnetic organic thin films)
• Elsen Tjhung (MSci 2009, mechanical properties of amyliod fibrils)
• Keenan Zhuo (MSci 2009, mechanical properties of amyloid fibrils)
• Leon Zaporski (UG 2017, theory and simulation of grain boundaries)
• Tim Ekeh (UG 2017, theory and simulation of grain boundaries)
• Eoin Kelly (UG 2016, first-principles study of the ground state of epitaxially-strained PbZrO3 thin films)
• Krishna (Gavin) Seegoolam (UG 2016, high-throughput computational workflows for functional oxides)
• Irina Mahmad-Rasid and Pawel Palczynski (UG 2014, development of online rubrics for undergraduate assessment)
• Jack Kemp (UG 2014, electronic transport in carbon nanotube networks)
• Raguram Subramaniam (UG 2011, phase transformations in gold)
• Nilpesh Patel (UG 2010, phase transformations in gold)
• David Schnoerr (UG 2010, phase transformations in gallium)