2024-07-11 –, Function (4.1)
In this work, we present the progress of our MolKet's Julia package that can be used to implement quantum molecular simulations with the aid of physics-informed AI. We will show the performance of our package and how it can be used to implement quantum molecular simulations for several applications.
Quantum molecular simulations are computationally expensive and require a large amount of memory. Moreover, accurate simulations may require the use of machine learning algorithms, physics-informed neural networks, and other types of algorithms such as quantum computing and quantum-inspired algorithms. Such algorithms require different types of hardware like CPUs, GPUs, TPUs, NPUs, and quantum computers. Therefore Julia is of much interest to implement quantum molecular simulations.
In this work, we present the progress of our MolKet's Julia package that can be used to implement quantum molecular simulations with the aid of physics-informed AI. We will show the performance of our package and how it can be used to implement quantum molecular simulations for several applications.
Keywords: Julia, quantum molecular dynamics, physics-informed neural networks, machine learning, quantum computing, quantum-inspired algorithms, high-performance computing, GPUs, TPUs, quantum computers.
- Chief Executive Officer & co-founder, MolKet.
- Quantum Education Officer and Lecturer, Amsterdam University of Applied Sciences.
- PhD candidate, Theoretical & Computational Chemistry, IMM, Radboud University Nijmegen, the Netherlands.
- His work has been presented at international conferences, and he has published numerous peer-reviewed articles in high-impact journals.
- Member of the American Physical Society (APS), the American Chemical Society (ACS), and other international societies.
- M.Sc. of Quantum physics, Lasers, & Materials.
- B.Sc. of Physics & Mathematics with Electronics & Communication Engineering.
- Non-degree diploma in Business Administration.
Alain Chancé is founder and CEO Quantalain SASU and Alainquant LLC, business management consulting startups. He is Chief Business, Marketing Officer and Co-founder MolKet which offers cloud-based software with AI services and solutions for molecular modeling and design using quantum and high-performance computing (HPC).
He has been a keynote co-speaker at the WAICF in Cannes, France, 9 Feb 2024, 16:35 PM to 17:00 PM CET and a co-speaker at the Quantum Innovation Summit, 2024 on 28-29 Feb in Dubai.
Alain is co-author of the book “Quantum Chemistry and Computing for the Curious: Illustrated with Python and Qiskit® code”, Packt Publishing (2022), ISBN-13: 978-1803243900. https://www.google.fr/books/edition/Quantum_Chemistry_and_Computing_for_the/NelvEAAAQBAJ?hl=en&gbpv=1&printsec=frontcover
Alain has authored the paper "Quantum Permutation Pad with Qiskit Runtime". In: Femmam, S., Lorenz, P. (eds) Recent Advances in Communication Networks and Embedded Systems. ICCNT 2022. Lecture Notes on Data Engineering and Communications Technologies, vol 205. Springer, Cham. https://doi.org/10.1007/978-3-031-59619-3_12
He is an IEEE Senior member, a society affiliate American Chemical Society (ACS), and a member of the American Physical Society (APS).
Alain is a Qiskit® Advocate and is an IBM Certified Associate Developer - Quantum Computation using Qiskit®v0.2X since 2021.
He has over 30 years of experience in major enterprise transformation projects with a focus on data management and governance gained in major management consulting firms.
He has a Master’s Degree in Science & Executive Engineering from École des Mines de Saint-Étienne in France (1981).