Oxford, England, United Kingdom
At Capgemini Quantum Lab and Capgemini Engineering R&D, I spearhead our global quantum initiatives, focusing on the intersection of AI, quantum chemistry and computing. I oversee numerous research initiatives and teams across geographies within the organisation to ensure we are translating fundamental research into real world impact. Our aim is to address complex societal challenges through collaboration with academic institutions, industry partners, and government entities. My strong foundation in theoretical and computational chemistry, alongside my background in HPC, AI, and quantum technologies enable me to guide our world-wide teams in developing innovative solutions for materials science and life sciences. Our approach combines quantum simulations with AI and data-driven methodologies, pushing the boundaries in drug development, materials science, and energy sector optimization. This hybrid strategy leverages my expertise in computational and quantum chemistry, alongside quantum computing and AI, to ensure a comprehensive and cutting-edge approach to problem-solving.
As the Head Scientist of the Capgemini Quantum Lab and Scientific Quantum Development Lead at Capgemini Engineering, I drive global technical development in quantum chemistry and materials science using data-driven methods, computational chemistry, and quantum computing. I collaborate with AI and quantum experts, domain specialists, and engineers to deliver solutions that address complex challenges across life sciences, chemicals, energy, and consumer products. My work reinforced Capgemini’s position as a global leader in quantum innovation. I spearheaded strategic projects such as alloy design for a global materials company and advanced simulation methodologies through the external and internal initiatives. I enabled Capgemini Quantum Lab to join multiple relevant consortia and also secure a place in the £12M Quantum Missions pilot. These achievements have strengthened our market leadership and delivered measurable business impact. I have published thought leadership articles, including “The next step for scientific discovery: Merging AI and quantum,” and represented Capgemini at major forums like Q2B, and The Royal Society Discussions Meeting. Beyond technical delivery, I focus on building talent and capability: designing PhD and internship programs, mentoring staff, and creating training content etc. My responsibilities include: - Managing projects across geographies with technical and strategic leadership - Defining roadmaps and milestones for the Quantum Lab - Leading grant applications and technical proposals at the intersection of AI, quantum, and simulation - Engaging with partners to solve business challenges and shape R&D agendas - Providing mentorship and fostering collaboration within global teams I am passionate about leveraging quantum and AI to drive innovation and create sustainable solutions. Looking ahead, I aim to expand our global footprint, grow high-performing teams, and continue shaping the future of advanced technologies.
My work enabled the NQCC to shape the UK's position as a world leader in quantum technologies as envisioned in the £2.5 billion investment, part of the National Quantum Strategy (NQS) (https://www.gov.uk/government/publications/national-quantum-strategy). I provided solutions and guidance to industrial, government, and academic partners as they embarked on their journey towards adopting quantum computing technologies for their respective needs. In doing so, I contributed to the NQCC's vision to enable the UK to solve some of the most complex and challenging problems facing society by harnessing the potential of quantum computing. I was part of the NQCC's technical leadership group, a key collaborator with the NQCC's academic partners at the Quantum Software Lab, University of Edinburgh, and a major contributor to the NQCC's flagship user engagement programme, SparQ (https://www.nqcc.ac.uk/engage/sparq-programme/). Given my strong background in both theoretical chemistry and quantum computing, I demonstrated experience and leadership working on identifying and developing use-cases pertaining to critical sectors such as pharmaceuticals, operational healthcare, and chemistry & materials. I served as the NQCC's principal investigator on 8 external projects, working with 23 different organisations over a 2-year period. I was regularly invited to conferences and meetings for presentations and panel discussions all over the UK to speak on the status of the field for healthcare and life-science sectors.
As a researcher within the prestigious European Quantum Flagship's OpenSuperQ project (http://opensuperq.eu) at Chalmers University of Technology in Sweden, I specialized in bridging the gap between quantum computing and computational chemistry. My primary focus was implementing and optimizing cutting-edge quantum chemistry algorithms for quantum computers. Leveraging my background in theoretical and computational chemistry, I contributed to advancing the field through: • Development of novel quantum algorithms specifically designed for chemical simulations • Implementation of state-of-the-art methodologies for molecular modeling on quantum architectures • Publication of peer-reviewed research advancing both chemistry and quantum computing domains • Provision of expert theoretical and quantum chemistry consultation to diverse non-computing projects, expanding the impact of quantum expertise across multiple research initiatives In this multifaceted role, I: • Mentored graduate students across various quantum chemistry projects, fostering next-generation talent in quantum computing • Collaborated closely with quantum hardware specialists to optimize and implement algorithms on actual quantum devices • Spearheaded cross-functional collaborations between chemistry, physics, and computer science teams to drive innovation • Served as a theoretical chemistry subject matter expert, providing critical support and insights to broader research initiatives This work was part of the larger €1 billion EU Quantum Flagship initiative, which aims to position Europe at the forefront of quantum technology development. The OpenSuperQ project specifically focused on building a competitive European quantum computer, where my contributions helped establish fundamental algorithms for practical quantum chemistry applications.
As a Postdoctoral Researcher at the Massachusetts Institute of Technology (MIT), I specialized in computational chemistry and materials science, contributing to groundbreaking research in pharmaceutical manufacturing and sustainable fuel processing. Key Research Initiatives: Led innovative research on hydrogen recycling in fuel desulfurization processes: • Developed novel computational methods for a more sustainable alternative to the traditional Claus process • Presented findings at prestigious conferences including the American Chemical Society and American Institute of Chemical Engineers national meetings • Research garnered significant attention for its potential industrial impact Pharmaceutical and Materials Research: Spearheaded computational studies for pharmaceutical process optimization: • Calculated high-accuracy solubility parameters crucial for efficient drug separation schemes • Developed predictive models for solid formation in pharmaceutical manufacturing processes • Collaborated with experimental teams to validate computational predictions • Applied sophisticated QSPR modeling and machine learning techniques for property estimation Technical Expertise: • Conducted high-accuracy ab initio calculations for molecular reaction mechanisms • Advanced liquid-phase chemistry and solid-liquid equilibria understanding • Administered and optimized the research group's supercomputing infrastructure • Implemented automated workflows for large-scale data processing and analysis This work bridged fundamental theoretical chemistry with practical industrial applications, contributing to both sustainable energy solutions and improved pharmaceutical manufacturing processes.
Worked on numerous projects in the fields of interstellar chemistry, atmospheric chemistry, chemical education under the supervision of Prof. Richard Dawes Research Focus and Achievements: • Developed sophisticated global and multi-state potential energy surfaces for small molecular systems • Pioneered the application of dynamically weighted multi-reference schemes for robust potential energy surface calculations • Advanced the understanding of non-adiabatic effects through precise calculations of derivative and spin-orbit couplings • Contributed to fundamental research in combustion and atmospheric chemistry Key Publications and Contributions: • Led groundbreaking research on vibronic perturbations in magnesium carbide (Molecular Physics, 2016) • Developed innovative approaches toward global modeling of spin-orbit coupling in halocarbenes (Journal of Chemical Physics(JCP), 2015) • Created novel educational tools through 3D printing of molecular potential energy surface models (Journal of Chemical Education, 2014) • Contributed to the development of an accurate global potential energy surface for ozone, with implications for atmospheric chemistry (JCP, 2013) • Advanced understanding of spectroscopy and dynamics of chlorocarbene's predissociated quasi-linear S2 state (JCP, 2012) • Published fundamental research on ozone formation potential with significant kinetics implications (JCP, 2011) Technical Expertise: • High-accuracy ab initio electronic structure theory calculations • Single and multi-reference descriptions of reactive systems • Complex gas phase systems modeling • Molecular spectroscopy and dynamics • Advanced computational chemistry methods This work established new methodologies for understanding molecular systems and contributed significantly to both theoretical chemistry and practical applications in atmospheric and combustion chemistry.
As a PhD researcher at Missouri University of Science and Technology under the guidance of Prof. Richard Dawes, I specialized in theoretical and computational chemistry, focusing on high-accuracy molecular modeling and spectroscopy.
Supervised the general chemistry lab