People

Principal investigator

arash_2011_small_fp

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

Read brief bio »

Post-docs and Research Fellows

PhD students

Masters students

Alumni (Post-docs and Research Fellows)

  • Dr Indrajit Maity (Marie Skłodowska-Curie Individual Fellow 2021-2023, moiré materials, electronic structure methods)
    Current position: Researcher, Max Planck Institute, Hamburg
  • Dr Valerio Vitale (PDRA 2017-2022, electronic structure software development, moiré materials)
    Current position: Marie Skłodowska-Curie Fellow, University of Trieste
  • Dr Joseph Prentice (PDRA 2017-2019, excitations in complex environments, multi-physics embedding for large scale electronic structure)
    Current position: Research Fellow, St Edmund Hall, University of Oxford
  • Dr Laura Ratcliff (PDRA 2017-18, development and application of linear-scaling DFT)
    Current position: EPSRC Early Career Research Fellow and Lecturer, School of Chemistry, University of Bristol
  • Dr Andrea Greco (PDRA 2017, development and application of linear-scaling DFT)
    Current position: Director, NextWave Consulting Italia
  • Dr Fabiano Corsetti (PDRA 2015-17, development and application of linear-scaling DFT)
    Current position: Senior Quantum Simulation Engineer, Microsoft
  • Dr Jordan Muscatello (PDRA 2013-16, theory and simulation of desalination membranes)
    Current position: Senior Data Scientist, ThoughtRiver
  • Prof Nicholas Hine (PDRA 2009-12, large-scale DFT, nanostructures for energy)
    Current position: Professor, Department of Physics, Warwick University

Alumni (PhDs)

  • Dr Chengcheng Xiao (PhD 2023, Theory and discovery of electride materials)
  • Dr Christopher Keegan (PhD 2023, Understanding and controlling structural distortions underlying superconductivity in lanthanum cuprates)
  • Dr Yiyuan (Amy) Wang (PhD 2021, First-principles simulation of charge injection at metal/polymer interfaces)
    Current position: Research Associate, Peking University
  • Dr Martik Aghajanian (PhD 2021, Theory and simulation of electronic and optical properties of charged defects in two-dimensional semiconductors)
    Current position: Data Science Analyst, Asda
  • Dr Zachary Goodwin (PhD 2021, Theory and simulation of moiré graphene multilayers)
    Current position: Research Fellow, Oxford University
  • Dr Jacek Golebiowski (PhD 2019, Multiscale simulations of critical interfacial failure in carbon nanotube-polymer composites)
    Current position: Co-founder, distil labs
  • Dr Chris Ablitt (PhD 2019, Understanding and controlling uniaxial negative thermal expansion in Ruddlesden–Popper oxides)
    Current position: Data Science Team Lead, Lunar Energy
  • Dr Nicola Molinari (PhD 2018, Models of technological polymers)
    Current position: Research Engineer, Bosch USA
  • Dr Andrea Greco (PhD 2017, Development and application of first-principles methods for complex oxide surfaces and interfaces)
    Current position: Director, NextWave Consulting Italia
  • Dr Musab Khawaja (PhD 2016, Modelling the permeability of nitrile rubber)
    Current position: Machine Learning Consultant, freelance
  • Dr Chenlu Cheng (visiting PhD student from Tsinghua University, 2015; defects in electroceramics)
    Current position: Senior Engineer, China Electric Power Planning and Engineering Institute
  • 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: Technical Lead, Mind Foundry
  • Dr Richard Broadbent (PhD 2014, A model for polymer membranes)
    Current position: Materials and Process Modelling Engineer, 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, Harrow School Online
  • Dr Fabiano Corsetti (PhD 2012, On the properties of point defects in silicon nanostructure from ab initio calculations)
    Current position: Senior Quantum Simulation Engineer, Microsoft
  • Dr Matthew Shelley (PhD 2011, Theory and simulation of semiconducting nanowires for thermoelectric applications)
    Current position: Head of Data & AI R&D, Accenture
  • Prof David O’Regan (PhD 2011, On optimised projections for the ab initio simulation of strongly-correlated systems)
    Current position: Associate Professor, School of Physics, Trinity College Dublin
  • Dr Hatem Helal (PhD 2011, Including solvent effects in first-principles simulations of biological systems)
    Current position: Principal Machine Learning Research Scientist, Valence Labs
  • Christopher Pointon (2008-09, first-principles spectroscopy)
    Current position: Pricing Director, Staysure Group

Alumni (Masters students)

  • Johan Fu (MEng 2024, electronic propertied of twisted bilayer silicene)
  • Yiru Jian (MSc 2024, theory and simulation of bilayer silicene and stanene)
  • Yue Pan (MSc 2024, theory and simulation of bilayer phosphorene and germanene)
  • Siyu Xiao (MSc 2024, discovery of new electride materials with theory and simulation)
  • Zhipeng Guan (MSc 2023, discovery of new electride materials with theory and simulation)
  • Mingyu Luo (MSc 2023, discovery of new electride materials with theory and simulation)
  • Rongze Sun (MSc 2023, theory and simulation of twisted bilayer silicene from first-principles)
  • Dewen Sun (MEng 2023, discovery of new electride materials with theory and simulation)
  • Fenglin Zhong (MSc 2022, twisted trilayer heterostructures of TMDs)
  • Yingshi Duo (MSc 2022, the bandstructure of twisted bilayer hBN)
  • Haoshan Wang (MEng 2022, developing a Kolmogorov-Crespi potential for TaS2)
  • Jiwen Yu (MEng 2022, computational investigation of twisted transition metal dichalcogenide trilayers)
  • Sean Lau (MSc 2021, flat bands of heterostrained and twisted bilayer transition metal dichalcogenides)
  • Haotian Zheng (MSc 2021, developing tight-binding parameters for the superconducting TMDs)
  • Yidao Song (MSc 2021, ultra-flat band in twisted trilayer transition metal dichalcogenide MoSe2 and MoS2)
  • Vivek Gogtay (MSci 2021, properties of AtABC quad-layer graphene)
  • Xavier van Gorp (MSci 2021, modelling twisted AtAB graphene)
  • Ines Gomes Padua (MEng 2021, charged defects in twisted bilayer graphene)
  • Changxin Jiang (MSc 2020, theory and simulation of twisted bilayer graphene encapsulated by hBN)
  • Ugne Kiudulaite (MSc 2020, strain engineering the propertied of RbPbI3 thin films)
  • Michael Newns (MEng 2020, structural relaxations of twisted bilayer graphene encapsulated by hBN)
  • Guangzhao Chen (MSc 2019, predicting the optical absorption of solvated organic molecules)
  • Anas Siddiqui (MSc 2019, predicting the optical absorption of solvated organic molecules)
  • Ruochen (Gary) Zhao (BEng 2019, predicting the colour of organic dyes using theory and simulation)
  • 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)

Alumni (UROPs)

  • Darshdeep Grewal (MIT IROP 2024, deep learning of Hamiltonians)
  • Ruize Ma (UG 2022, 2023, theory and simulation of graphene nanoribbons)
  • Christopher Cheung (UG 2020, 2021, Hartree interactions in twisted double bilayer graphene)
  • Arta Safari (UG 2019, structural models for twisted bilayer materials)
  • 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)