Quantum for Bio 

Molecular Recognition from Quantum Computing

In July 2023 the Q4Bio project ‘Molecular Recognition from Quantum Computing’ was one of twelve projects selected by Wellcome Leap to participate in their Supported Challenge Programme. 

Quantum computing holds the potential to significantly impact various aspects of our lives, including healthcare. The questions of how and when it will do so generate both hope and doubt. Early development of applications, software, and hardware has historically led to the most significant advancements in new computational methods.

Quantum for Bio (Q4Bio) is a cross-disciplinary Supported Challenge Programme funded by Wellcome Leap. The programme aims to accelerate applications of quantum computing in health and demonstrate quantum-enabled solutions to address pressing human health challenges. This is the first time a team from the University of Copenhagen has been selected to join a prestigious program from Wellcome Leap.  

The project ‘Molecular Recognition from Quantum Computing’ is led by Professor and PI Matthias Christandl, Department of Mathematical Sciences at UCPH Faculty of SCIENCE. Within the UCPH faculty of SCIENCE, the Departments of Biology, Chemistry, and Computer Sciences each contribute three co-PIs. Additionally, three external institutions play an active role in the project, with co-PIs representing two from MIT, one from ETH Zürich, and another from Novo Nordisk.

Co-PIs from UCPH Faculty of SCIENCE are Professor Kresten Lindorff-Larsen (Department of Biology) Professor Gemma Solomon (Department of Chemistry and NQCP Niels Bohr Institute) and Professor Anders Krogh (Department of Computer Science). Co-PIs from outside UCPH are Professor Aram Harrow and Professor Troy Van Voorhis (MIT), Professor Markus Reiher (ETH Zürich) and Dr. Gopal Karemore (Novo Nordisk A/S).

 

The Q4Bio programme is split into three phases over 2.5 years in total. In the first phase the focus is to develop quantum algorithms. The second phase will focus on large-scale simulations of developed algorithms in the first phase using classical high-performance computing (HPC). The focus of the third and final phase is implementing the developed algorithmic solutions on quantum computing devices. Wellcome Leap will assess which projects demonstrate significant progress in each phase and select the most successful consortiums to proceed to the next phase. 

 

 

The Q4Bio programme is split into three phases over 2.5 years in total. In the first phase the focus is to develop quantum algorithms. The second phase will focus on large-scale simulations of developed algorithms in the first phase using classical high-performance computing (HPC). The focus of the third and final phase is implementing the developed algorithmic solutions on quantum computing devices. Wellcome Leap will assess which projects demonstrate significant progress in each phase and select the most successful consortiums to proceed to the next phase. 

The goal of the Q4Bio project ‘Molecular Recognition from Quantum Computing’ is to design and implement a fully integrated computational framework that uses quantum computers to simulate and quantify molecular recognition processes with unprecedented accuracy. 

 

 

 

 

This Copenhagen-based consortium has grown out of the Quantum for Life Center and the UCPH Quantum Hub. We have now secured funding for the inaugural phase, commencing on September 1, 2023, - and spanning over the next twelve months. 

The diverse consortium is led by the PI and seven co-Principal Investigators (co-PIs) who bring expertise from a wide array of disciplines. These areas of specialization include theoretical quantum algorithms, quantum and chemical simulations, protein modeling, and applied human health sciences.

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

Do you want to know more?

 

 

 

 

Professor and PI

Matthias ChristandI

Email: christandl@math.ku.dk

Phone: +45 35 33 22 98
Mobile: +45 51 82 43 25

Supported by

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UCPH members

Name Title Job responsibilities Phone E-mail
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Anders Krogh Professor Head of Center for Health Data Science +4535321329 E-mail
Freek Gerrit Witteveen Postdoc QA, Q-math, QfL +4535331042 E-mail
Gemma C. Solomon Professor +4541197775 E-mail
Jakob Max Günther PhD Fellow QA, QMATH, QfL +4535324682 E-mail
Kresten Lindorff-Larsen Professor +4535322027 E-mail
Marek Leonard Miller Postdoc +4535329843 E-mail
Matthew Steven Teynor PhD Student +4535323504 E-mail
William Bro-Jørgensen PhD Fellow +4535323058 E-mail

Partners

Name Title Institution E-mail
Aram Harrow Professor Massachusetts Institute of Technology aram@mit.edu
Troy Van Voorhis Professor Massachusetts Institute of Technology tvan@mit.edu
Markus Reiher Professor ETH Zürich markus.reiher@phys.chem.ethz.ch
Thomas Weymuth Senior Scientist ETH Zürich Thomas.weymuth@phys.chem.ethz.ch
Michael Erakovic Postdoc ETH Zürich mihael.erakovic@phys.chem.ethz.ch
Moritz Bensberg Postdoc ETH Zürich moritz.bensberg@phys.chem.ethz.ch
Marco Eckhoff Postdoc ETH Zürich marco.eckhoff@phys.chem.ethz.ch
Gopal Karemore Director Novo Nordisk gpka@novonordisk.com