Next generation HPC/QC in silico drug discovery platform for de novo design

Project Information

ATLAS

Grant agreement ID: 190141418

DOI

10.3030/190141418

Project closed

EC signature date 28 July 2022

Start date 1 September 2022

End date 31 August 2024

Funded under

• The European Innovation Council (EIC)

Total cost

€ 4 249 375,00

EU contribution

€ 2 500 000,00

Coordinated by

QUBIT PHARMACEUTICALS
France

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Links to deliverables and publications from FP7 projects, as well as links to some specific result types such as dataset and software, are dynamically retrieved from OpenAIRE .

Publications

Book chapters (1)

Polarizable multiscale dynamics for probing solvent and complex environments

Author(s): D. Loco ; J.-P. Piquemal
Published in: Photochemistry: Volume 50, ISBN 978-1-83916-567-2
Publisher: Royal Society of Chemistry
DOI: 10.1039/9781839167676

Peer reviewed articles (3)

QM/AMOEBA description of properties and dynamics of embedded molecules

Author(s): Michele Nottoli, Mattia Bondanza, Patrizia Mazzeo, Lorenzo Cupellini, Carles Curutchet, Daniele Loco, Louis Lagardère, Jean-Philip Piquemal, Benedetta Mennucci, Filippo Lipparini
Published in: Wire computational molecular science, ISSN 1759-0876
Publisher: WIREs Computational Molecular Science
DOI: 10.1002/WCMS.1674

Greedy Gradient-free Adaptive Variational Quantum Algorithms on a Noisy Intermediate Scale Quantum Computer

Author(s): César Feniou, Baptiste Claudon, Muhammad Hassan, Axel Courtat, Olivier Adjoua, Yvon Maday, Jean-Philip Piquemal
Published in: Greedy Gradient-free Adaptive Variational Quantum Algorithms on a Noisy Intermediate Scale Quantum Computer, ISSN 2331-8422
Publisher: arXiv
DOI: 10.48550/ARXIV.2306.17159

Overlap-ADAPT-VQE: Practical Quantum Chemistry on quantum Computers via Overlap-Guided Compact Ansatze

Author(s): César Feniou, Muhammad Hassan, Diata Traoré, Emmanuel Giner, Yvon Maday & Jean-Philip Piquemal
Published in: Communications Physics, ISSN 2399-3650
Publisher: Communications Physics
DOI: 10.1038/S42005-023-01312-Y

Intellectual Property Rights

Other (6)

Method for generating overlap-guided compact ansatz for practical quantum chemistry, uses thereof and related computing systems

Application/Publication number: EP23 305081.4
Date: 2024-01-23
Applicant(s): QUBIT PHARMACEUTICALS

Methods and systems for polylogarithmic-depth controlled-NOT gate implementation in quantum circuits and computers

Application/Publication number: EP23 307297.4
Date: 2023-12-20
Applicant(s): QUBIT PHARMACEUTICALS

Method for generating optimized ansatz with adaptive variational quantum algorithms on a noisy intermediate scale quantum computer for example for practical quantum chemistry, uses thereof and related computing systems

Application/Publication number: EP23 306077.1
Date: 2023-06-29
Applicant(s): QUBIT PHARMACEUTICALS

Computer implemented method for computing quantum-enhanced chemical properties of a chemical system

Application/Publication number: EP24 305780.9
Date: 2024-05-17
Applicant(s): QUBIT PHARMACEUTICALS

Methods and systems for adjustable-depth circuit ofr controlled-NOT gate implementation in quantum circuits and computers and controlled-NOT gate thereof

Application/Publication number: EP23 307298.2
Date: 2023-12-20
Applicant(s): QUBIT PHARMACEUTICALS

Approximating a density function based on a Gaussian mixture using aquantum computer

Application/Publication number: EP23 305613.4
Date: 2023-04-20
Applicant(s): QUBIT PHARMACEUTICALS

Trademark (1)

Trademark Qubit Pharmaceuticals

Application/Publication number: France- 23/5001274
Date: 2023-10-25
Applicant(s): QUBIT PHARMACEUTICALS