June 9, 2022
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 Quantinuum’s state-of-the-art quantum chemistry software platform which incorporates cutting-edge methods, techniques, and algorithms.
Hosted by Quantinuum, you will have the opportunity to learn about and discuss the latest with AbbVie, BMW, Ford, Honeywell PMT, Roche Pharmaceutical Research and Early Development, and TotalEnergies.
Leaders in R&D and technology
Molecular and materials scientists
Anyone interested in quantum chemistry!
New Product Overview and Demo
David Muñoz Ramo & David Zsolt Manrique
BIOVIA Pipeline Pilot Integration
Stephen Todd & Irfan Khan
Chemicals / Materials Session
Roche Pharmaceutical Research and Early Development
Detlef Wolf & Josh Kirsopp
Alex Kruglov & Maria Tudorovskaya
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 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 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 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 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 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 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.
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 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 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 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 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.
Detlef received his master’s in computer science at the Technical University Darmstadt in 1988. He joined Roche in 1996 and works within Pharma Research and Early Development Informatics at the Roche Innovation Center in Basel. He has been a member of the Roche quantum computing task force since 2018 and is currently the project lead of the quantum computing chemistry simulation use case.