Oxford, England, United Kingdom
I work on structuring how advanced scientific methods come together to solve real problems in chemistry, materials, and life sciences, spanning quantum computing, computational chemistry, AI, and data‑driven modelling. I operate across two connected roles at Capgemini. As Head Scientist, Research & Innovation for the Quantum Lab, I shape research direction in quantum chemistry, benchmarking, and hybrid quantum–AI methods. As Scientific Quantum Development Lead within Capgemini Engineering, I lead programmes that translate those capabilities into work with industry. A large part of my work is not just building solutions, but defining the workflows that connect them. That includes deciding how quantum methods sit within a broader scientific stack, how they integrate with machine learning and simulation, and where they add value over established approaches. The question is rarely whether something can be done, but whether it should be done, how it fits into an end‑to‑end process under real conditions. My background is in theoretical and computational chemistry with data‑driven modelling, with experience across MIT, Chalmers, the National Quantum Computing Centre, and now Capgemini. I have worked on problems from thermodynamic prediction in pharmaceutical and industrial chemistry through to error‑mitigated quantum algorithms and cross‑platform benchmarking. At Capgemini, I lead global collaborations across pharma, chemicals, materials, and energy. Working across an organisation of over 420,000 people in 50+ countries, including a 65,000‑strong engineering and science network, gives me broad exposure to industry problems and close interaction with senior technical leadership. My work includes securing and delivering funded programmes, building multi‑year partnerships, and defining roadmaps for quantum–AI applications. A significant part of my role is customer-facing. I run workshops, shape use cases, and work with organisations such as GSK, Unilever, Airbus, and IBM to move from early curiosity to something that can be scoped, funded, and delivered, feeding those insights back into research priorities. I maintain close ties with academia through ongoing research and supervision, regularly publishing and overseeing PhD and master’s projects, and currently co‑supervising a PhD student with Prof. George Booth at King’s College London. I also contribute through talks and panels on quantum applications in chemistry and materials globally, and I’m particularly interested in the point where combining quantum, AI, and classical methods becomes a usable system.
- Operate across research and delivery, leading scientific programmes that combine quantum computing, AI, and computational chemistry for applications in pharma, chemicals, materials, and energy. - Shape research direction within the Quantum Lab for chemistry and materials applications, including quantum chemistry methods, benchmarking, and hybrid quantum–AI workflows - Define end‑to‑end scientific workflows that integrate quantum methods with machine learning, simulation, and data‑driven approaches - Lead development of application roadmaps, translating emerging capabilities into structured programmes with clear objectives and deliverables - Be a principal investigator for proposals and projects. Ex: I am one of the principal architects on a recent BMBF-funded multi‑million euro consortium (2.9M euros, 3 years) involving Fraunhofer IAF, Fraunhofer IWM, HQS Quantum Simulations, Airbus, and AkzoNobel, shaping the technical direction and proposal strategy in Germany - Secure and deliver multi‑organisation programmes, coordinating teams and stakeholders across geographies and disciplines - Work directly with clients to define and shape use cases, running workshops and technical discussions with organisations such as GSK, AstraZeneca, Unilever, Airbus, Bosch, GE, IBM, etc - Drive the transition from exploratory work to funded programmes and multi‑year collaborations with senior stakeholders - Maintain accountability for programme delivery, including planning, resourcing, and technical quality across complex, multi‑stakeholder initiatives - Translate industrial needs into research priorities, influencing what problems are pursued and how solutions are developed - Operate across Capgemini’s global engineering and research network, engaging with senior technical leadership to align scientific direction with client priorities - Build capability through mentoring, PhD and internship programme design, and internal knowledge-sharing initiatives
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