Quantinuum Showcase: Real-world use cases from early adopters

June 9, 2022

Virtual Event

Quantum Computing for Chemistry is Here

Meet and interact with leaders in pharmaceuticals, energy, automotive, and chemicals who are exploring methods and discoveries across the most promising areas of quantum computational chemistry.

Preview InQuantoTM, our state-of-the-art quantum computational chemistry software platform for quantum computers, which incorporates cutting-edge methods, techniques, and algorithms.

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Hosted by Quantinuum, you will have the opportunity to learn about and discuss the latest with AbbVie, BMW Group, Ford, Honeywell PMT, Roche Pharmaceutical Research and Early Development, and TotalEnergies.

Who should attend this virtual, interactive event?

  • Leaders in R&D and technology

  • Computational chemists

  • Computational physicists

  • Molecular and materials scientists

  • Anyone interested in quantum chemistry!

Showcase Agenda

0900 EDT

1400 BST

Opening Remarks

Simon McAdams


0910 EDT

1410 BST

InQuanto Overview and Demo

David Muñoz Ramo & David Zsolt Manrique

0940 EDT

1440 BST

BIOVIA Pipeline Pilot Integration

Stephen Todd & Irfan Khan

Pharma Session

Automotive Session

Chemicals / Materials Session

1000 EDT

1500 BST

Roche Pharmaceutical Research and Early Development

Agnes Meyder & Josh Kirsopp

BMW Group

Elvira Shishenina

Honeywell PMT

Alex Kruglov & Maria Tudorovskaya

1025 EDT

1525 BST


Brian Martin

Ford Motor Company

Marwa Farag


Marko Rancic

1045 EDT

1545 BST

Closing Remarks

Simon McAdams

1100 EDT

1600 BST


Featured Speakers

Marwa Farag

Quantum Algorithm Researcher

Ford Motor Company

Marwa has a PhD in Theoretical Chemistry and Computational Modeling. Researching quantum mechanics and computation, she develops and employs numerical methods to solve quantum mechanics problems for application in chemistry and physics such as materials science. The methods she has developed have spanned from electronic structure calculations to solve the time-independent Schrodinger equation to quantum dynamic simulations. 

Irfan Khan

Software Engineer for Quantum Chemistry


Irfan has participated in the development of commercial-grade quantum compute software for chemistry and materials science. He has led the integration of Quantinuum's quantum computational chemistry software into BIOVIA's Pipeline Pilot workflow software. His work with Honeywell PMT culminated in one of the largest UCC-based, excited-state chemistry calculations on H-Series QPUs. Irfan received his MSci Physics degree from Royal Holloway and completed his master's project DFT +U with CASTEP (see BIOVIA's Material Studio), supervised by Professor Keith Refson, an original developer of CASTEP.

Josh Kirsopp

Research Software Engineer


Josh has a background in theoretical and computational chemistry, having received his bachelor's degree from the University of Warwick, MSc by research from the University of York and his PhD from Cardiff University. His focus is primarily on the development of Quantinuum's quantum chemistry package, and secondarily on researching new quantum algorithms. The work undertaken by Josh, his co-workers, and collaborators at Roche represents the first use of a real-world quantum device in evaluating protein-ligand interactions.

Dr Alex Kruglov

Sr R&D Director, Discovery

Honeywell PMT

Dr Alex Kruglov leads the identification of novel material solutions for current and emerging applications at Honeywell’s Advanced Materials Division. Previously, Alex served as Global Technology Vice President for Valspar Performance Coatings, and as Global R&D Director at WR Grace & Co.’s, Construction Products. Alex began his career at General Electric, where he held various technology and management positions within the plastics business unit. Alex received his PhD in Chemical Engineering from the Mendeleev Russian University of Chemical Engineering and completed his postdoctoral studies at the University of Minnesota.

David Zsolt Manrique

Research Scientist and Software Developer


David completed his PhD studies at Lancaster University where he worked as a postdoctoral researcher for 3 years. Before joining Quantinuum, he also worked on quantum metamaterials at UCL, Department of Electronic and Electrical Engineering.  In his current role, he is developing novel quantum chemistry algorithms that can take advantage of existing and future quantum computing devices. His particular research interests are methods that seamlessly integrate traditional quantum chemistry and quantum computations.

Brian Martin

Research Fellow, Head of AI, R&D IR


Brian joined AbbVie in October of 2018 as the head of the newly formed RAIDERS team within Research & Development’s Information Research division, focused on accelerating, scaling, and amplifying the work of AbbVie’s R&D community using AI technologies like machine learning, deep learning, and cognitive computing. While his primary focus is AI technologies, his interests are much broader, and he has presented at conferences on topics including optical networking quantum computing, blockchain, cognitive architecture, and other emerging technology concepts that are part of digital transformation. Brian holds a B.S. degree in Computer and Cognitive Science from Alma College and a M.S in Computer Science from the University of Chicago.

Simon McAdams

Product Lead


Simon is Quantinuum's quantum chemistry product lead, and previously delivered the UK Quantum Readiness Programme with partners at the University of Oxford. Simon has a PhD in Nanotechnology from the University of Manchester focusing on advanced materials for quantum technologies.

Agnes Meyder

Senior Scientific Solution Engineer

Roche Pharmaceutical Research and Early Development

Agnes Meyder received her PhD from the University of Hamburg with a focus on method development for computer aided drug discovery in 2020 covering numerical optimization, cheminformatics, torsion angle and crystallography quality metrics. Since then, she works in the Scientific Solution Engineering and Architecture team in the Roche Pharma Early Research and Development - Data & Analytics division. Her work as a Senior Scientific Solution Engineer focuses on shaping software and projects for small molecules on multiple platforms such as the cloud and Quantum Computing. In her spare time, she leads the over 500 people strong gender diverse group "Haecksen" in Europe's largest hacker association, the CCC.

David Muñoz Ramo

Head of Quantum Chemistry


David has a background in computational chemistry and condensed matter physics, with exhaustive experience in data analysis. He supervises a team dedicated to the design and development of algorithms for quantum chemistry simulations on quantum computers. He has researched the structure and properties of materials of technological interest using computational modelling and has worked in projects in the fields of microelectronics, geophysics, optoelectronics, and heterogeneous catalysis. 

Marko Rancic

Head of Quantum Computing


Marko Rancic holds a doctorate in quantum computing and condensed matter theory from the University of Konstanz in Gerrmany.  During his PhD years he focused on theory of semiconductor spin qubits. After working in Switzerland on different aspects on quantum hardware (hole quobits and Majorana zero modes) he joined TotalEnergies to lead their efforts in quantum computing. There, he manages a multi-million-euro research program with a diverse portfolio but with a strong focus on using quantum computing in the domain of low carbon energies. The team under his guidance is baed on the outskirts of Paris, in the heart of the Paris-Saclay ecosystem. 

Elvira Shishenina, PhD

Quantum Computing lead

BMW Group

Elvira joined the BMW Group’s Quantum Computing (QC) initiative as a resident expert in January 2021. In 2019, following the transition to QC, she helped expand the project at TotalEnergies taking charge of QC-applications in Quantum Chemistry and Linear Algebra. While developing TotalEnergies’ first in-house QC codes targeting the company’s problematics, she also supervised multiple industrial and academic collaborations. In 2020, with her peers from Ecole Polytechnique, she founded QuantX, the alumni association devoted to QC technology. Today Elvira leads quantum computing research and applications in BMW Group, exploring the promising use cases across the automotive industry and the Group’s activities.

Stephen Todd

Strategy Planning Expert


Stephen Todd is a Strategy Planning Expert for the BIOVIA team at Dassault Systèmes UK, with a special focus on materials science and simulation tools. Stephen was the Portfolio Manager for BIOVA’s discrete modelling and simulation tools and worked for 15 years with various stakeholders to build the market leading Materials Studio simulation product. He holds a PhD in molecular modelling of liquid crystals from the University of Hull, UK, and has interests in a wide range of materials, including polymer composites and battery electrolytes.

Maria Tudorovskaya

Research Scientist


Maria is a research scientist in quantum computational chemistry. She has a PhD in atomic, molecular, and optical physics. Her previous experience concerns the modelling of atomic and molecular interaction with light sources and electrons. At Quantinuum, she applies existing and emerging quantum chemistry methods and contributes to the development of the new algorithms on quantum computers.