Principal investigator
Professor 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
Post-doctoral researchers
- Dr Valerio Vitale (development and application of maximally-localised Wannier functions)
- Dr Joseph Prentice (development and application of linear-scaling DFT)
PhD students
- Chris Ablitt (negative thermal expansion of layered perovskites)
- Jacek Golebiowski (mechanical failure in carbon nanotube-polymer composites)
- Martik Aghajanian (adsorbate engineering in 2D semiconductors)
- Yiyuan (Amy) Wang (charge injection at polymer-metal interfaces)
- Zachary Goodwin (strongly-correlated twisted bilayer materials)
Masters and BSc students
- Ruochen (Gary) Zhao (optical absorption of solvated dyes)
- Guangzhao Chen (optical absorption of solvated dyes)
- Anas Siddiqui (optical absorption of solvated dyes)
Alumni
- Dr Laura Ratcliff (PDRA 2017-18, development and application of linear-scaling DFT)
Current position: EPSRC Early Career Research Fellow, Department of Materials, Imperial College London - Dr Andrea Greco (PDRA 2017, development and application of linear-scaling DFT)
Current position: Software Developer, Quantexa - Dr Fabiano Corsetti (PDRA 2015-17, development and application of linear-scaling DFT)
Current position: Scientific Software Specialist, Synopsys Quantumwise - Dr Jordan Muscatello (PDRA 2013-16, theory and simulation of desalination membranes)
Current position: Solutions Engineer, Eigen Technologies - Dr Nicholas Hine (PDRA 2009-12, large-scale DFT, nanostructures for energy)
Current position: Associate Professor, Department of Physics, Warwick University
- Dr Nicola Molinari (PhD 2018, Models of technological polymers)
Current position: Postdoctoral researcher, Harvard university - Dr Andrea Greco (PhD 2017, Development and application of first-principles methods for complex oxide surfaces and interfaces)
Current position: Software Developer, Quantexa - Dr Musab Khawaja (PhD 2016, Modelling the permeability of nitrile rubber)
Current position: Applications Engineer in Data Science, Mathworks - Dr Chenlu Cheng (visiting PhD student from Tsinghua University, 2015; defects in electroceramics)
- Dr 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 - Dr Rob Bell (PhD 2015, Large scale simulation of conduction in carbon nanotube networks)
Current position: Senior Software Engineer at Mind Foundry - Dr Richard Broadbent (PhD 2014, A model for polymer membranes)
Current position: Technologist, Rolls Royce - Dr Joseph Fallon (PhD 2014, Multiscale theory and simulation of barium titanate)
Current position: HMRC - Dr Lampros Andrinopoulos (PhD 2013, Including van der Waals interactions in first-principles electronic structure calculations)
Current position: Teacher and Tutor of Physics and Mathematics, Phi Tuition - Dr Fabiano Corsetti (PhD 2012, On the properties of point defects in silicon nanostructure from ab initio calculations)
Current position: Scientific Software Specialist, Synopsys Quantumwise - Dr Matthew Shelley (PhD 2011, Theory and simulation of semiconducting nanowires for thermoelectric applications)
Current position: Trading and Risk Manager, Accenture - Dr 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 - Dr 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)
Current position: Optimisation Pricing Manager, Centrica
- Baptiste Bienvenu (MSc 2018, high-throughput workflows for structure and property determination in epitaxial perovskite oxides)
- 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)
- Charles Johnson (MSci 2018, theory and simulation with maximally-localised Wannier functions)
- Frederico Delgado (MEng 2018, theory and simulation of thermoelectric materials)
- Thibaut Wohrer (MEng 2018, theory and simulation of thermoelectric materials
- 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)
- Vinul Wimalaweera (UG 2018, database-mining of negative thermal expansion materials)
- Jacob Robertson (UG 2018, development and application of Wannier90)
- 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)
