Contact: (+44) 7448520445 | Email: hafiz.ali@chem.ox.ac.uk
Chemistry Research Laboratory, University of Oxford, Oxford, OX1 3TA, United Kingdom
ORCID: 0000-0001-5770-5376 | Website: hafizsaqibali.github.io
An enthusiastic, adaptive and fast-learning person with a broad and acute interest in the field of computational chemistry, chemical biology, and medicine. I possess a versatile and fast learning abilities, and an avid interest in the development and implementation of algorithms within the realm of natural sciences. My expertise lies in the field of quantum mechanics, molecular dynamics, machine learning, hybrid quantum mechanics/molecular mechanics and bioinformtics. Not only do I excel in these areas but am also passionate for advancing methodologies and working collaboratively with scientists from diverse fields to accomplish project objectives.
Postdoctoral Research Associate 2022 – Present
University of Oxford
Supervisors: Profs. Christopher Schofield and Fernanda Duarte
Project: Development and Implementation of Computational Strategies to Identify New Active Molecules and Study Their Mechanism by Means of the State-of-Art Computational Techniques
Postdoctoral Research Associate 2021 – 2022
The University of Edinburgh
Supervisor: Dr. Amanda Jarvis
Project: Molecular Modelling of Artificial Metalloenzymes in Order to Optimise Their Activities and Design of Novel Artificial Metalloenzymes
Ph.D., Physical and Theoretical Chemistry2018 – 2021
The University of Manchester, UK
Recipient of Chief Minister Merit Scholarship (CMMS)
Supervisors: Dr. Richard Henchman and Prof. Samuel de Visser
Thesis Title: Development and Implementation of Algorithms to Determine the Reaction Kinetics and Stability of Biomolecules
M.Phil., Physical Chemistry 2015 – 2017
Govt. College University Faisalabad, Punjab, Pakistan
Recipient of Punjab Educational Endowment Fund (PEEF) Scholarship
Supervisor: Prof. Asim Mansha
CGPA: 3.89/4.00 (3rd Position)
Thesis Title: A Quantum Mechanical Study of Nitrile-based Dyes as Photosensitizers for Photodynamic Therapy Applications
BS (hons), Chemistry 2011 – 2015
Govt. College University Faisalabad, Punjab, Pakistan
Recipient of Higher Education Commision (HEC) Merit Scholarship
CGPA: 3.34/4.00
Chief Minister Merit Scholarship (CMMS)2018 – 2021
A PhD foreign scholarship from the Government of Pakistan that covered all expenses related to studying abroad for a period of 3-4 years. This scholarship included 100% coverage of tuition fees, boarding and lodging expenses, health insurance, and airfare.
The Punjab Educational Endowment Fund (PEEF) 2015 – 2017
The Government of Punjab, Pakistan, offered a Masters level PEEF scholarship for a period of two years, which covered all education-related expenses including tuition fees and living expenses.
Higher Education Commision (HEC) Scholarship 2011 – 2015
The Government of Pakistan, offered an undergraduate degree scholarship that covered the entire four-year duration of the program.
CCPBioSim Software Project FundingJuly 2023 – Present
Funding from CCPBioSim (EPRSC grant EP/T026308/1) in collaboration with the Scientific and Technology Facilities Council (STFC) to generalise the software "CodeEntropy: Generalising Multiscale Cell Correlation to Molecular Mixtures and Complexes" to biomolecular systems.
Computing Time March 2023 – Present
Application for Computing time of 47,520 GPU hrs on the supercomputer BEDE was acceped by HECBioSim.
CCPBioSim Software Project FundingFebruary – July 2022
Funding from CCPBioSim (EPRSC grant EP/T026308/1) in collaboration with the Scientific and Technology Facilities Council (STFC) for "Multiscale Entropy and Structure Quantification from Molecular Dynamics Simulation" to combine the CodeEntropy software with the POSEIDON software to enable the calculation of the entropy of aqueous proteins.
CCPBioSim Workshop January 2023
The CodeEntropy Hackathon hosted at the University of Leeds, UK, provided training to participants on utilizing CodeEntropy for the calculation of entropy in biomolecular systems, including water, ions and solutes.
DPhil Student Supervisor March 2022 – Present
Day-to-day supervision of DPhil and master students in the Profs. C.J. Schofield and F. Duarte groups.
PhD Student SupervisorSeptember 2021 – March 2022
Day-to-day supervision of PhD and master students in the Dr. A. Jarvis group.
PhD & Master Student Supervisor February 2018 – September 2020
Day-to-day supervision of PhD students in the Profs. R.H. Henchman and S.P. de Visser groups.
Graduate Teaching Assistance, Department of Chemistry, University of Manchester 2018 – 2020
• Advanced Practical Training (CHEM30620) January – April 2020
• Molecular Modelling & Simulation (CHEN40232 & 60232) February 2020
• Computational Studies of Structure and Reactivity (CHEM30620) December 2019
• Reaction of Cu Coordinated Compounds (CHEM30620) September – December 2019
• Molecular Modelling & Simulation (CHEN40232 & 60232) March – 2019
• Computational Lab mini-Project (CHEM30600) September 2018 – April 2019
• Modelling Nanoporous Crystal Growth: Fotran programing (CHEM30600) September – December 2018
Computing Platforms
High Performance Computing (HPC) Cluster (Aleph) and Advance Research Computing (ARC), University of Oxford. March 2022 – Present
Edinburgh Compute and Data Facility (ECDF), University of Edinburgh. 2021 – 2022
High Performance Computing Shared Facility (CSF3), University of Manchester. 2018 – 2022
Computing Softwares
AMBER, GROMACS, CP2K, SchrÖdinger, Gaussian, ORCA, OLEX2, Mercury, GaussView, ChemCraft, Hyper-Chem, Chem-3D, Avogadro, End Note and Notepad++
Programming
Python, Bash, Matlab, Fortran, Git, C++, PyTorch, TensorFlow, and Machine Learning.
• Medicinal Chemistry Workshop series from Blue Burgundy and Ineos Oxford Institute for AMR March 2023
• 5th RSC-BMCS / RSC-CICAG Artificial Intelligence in Chemistry, University of Cambridge September 2022
• Inorganic Reaction Mechanisms & Inorganic Biochemistry Discussion Group Meeting at the Manchester Institute of Biotechnology, Manchester, UK April 2019
• Inorganic Reaction Mechanisms International Conference, RSC (talk) July 2020
• Hybrid Quantum Mechanics / Molecular Mechanics (QM/MM) Approaches to Biochemistry and Beyond. CECAM-HQ-EPFL, Lausanne, Switzerland (poster) April 2019
• DL_Software’s Training Workshop, The University of Manchester (poster) December 2018
• 6th Annual CCPBioSim Meeting, University of Oxford, UK (poster) September 2018
• CCP5 Summer School, University of Lancaster, UK July 2018
• 3rd Conference on Multiscale Modelling of Condensed Phase and Biological Systems-CCPBioSim and CCP5, The University of Manchester (poster)May 2018
• CCPBioSim Training Week, University of Bristol, UK April 2018
Associate Member of The Royal Society of Chemistry (725043)
For references, please inquire to:
Prof. Christopher Schofield, University of Oxford (christopher.schofield@chem.ox.ac.uk)
Prof. Fernanda Duarte, University of Oxford (fernanda.duartegonzalez@chem.ox.ac.uk)
Prof. Samuel de Visser, The University of Manchester (sam.devisser@manchester.ac.uk)
Dr. Richard Henchman, The University of Sydney (rhen7213@uni.sydney.edu.au)
Dr. Amanda Jarvis, The University of Edinburgh (amanda.jarvis@ed.ac.uk)