César Feniou’s PhD defense (december 11th 2025)
Congrats to César Feniou who succesfully defended his theoretical chemistry PhD on december 11th 2025: “Quantum algorithms for first-principles quantum chemistry” !!!!
Quantum Speedup for Nonreversible Markov Chains
Check our new paper published in Nature Communications: Quantum Speedup for Nonreversible Markov Chains. B. Claudon, J.-P. Piquemal, P. Monmarché, Nature Communications, 2025, 16, 10732 (Open Access) DOI: 10.1038/s41467-025-65761-5 Blog: Check our...
New preprint: Accelerating Molecular Dynamics Simulations with Foundation Neural Network Models using Multiple Time-Step and Distillation
Check our latest preprint: Accelerating Molecular Dynamics Simulations with Foundation Neural Network Models using Multiple Time-Step and Distillation. C. Cattin, T. Plé, O. Adjoua, N. Gouraud, L. Lagardère, J.-P. Piquemal, 2025,...
Targeting RNA with small molecules using state-of-the-art methods provides highly predictive affinities of riboswitch inhibitors
Check our new paper published in Communications Biology: Targeting RNA with Small Molecules using State-of-the-Art Methods Provides Highly Predictive Affinities of Riboswitch Inhibitors. N. Ansari, C. Liu, F. Hédin, J....
New preprint: Real‑Space Chemistry on Quantum Computers: A Fault‑Tolerant Algorithm with Adaptive Grids and Transcorrelated Extension.
Check our latest lpreprint: Real‑Space Chemistry on Quantum Computers: A Fault‑Tolerant Algorithm with Adaptive Grids and Transcorrelated Extension. C. Feniou, C. Cherfan, J. Zylberman, B. Claudon, J.-P. Piquemal, E. Giner, 2025,...
Nicolaï Gouraud’s PhD defense (june 27th 2025)
Congrats to Nicolaï Gouraud who brilliantly defended his applied mathematics PhD thesis on june 27th 2025: “Stochastic algorithms for high-dimensional sampling in molecular dynamics: mathematical analysis and scalable implementation“.
Jean-Philip Piquemal receives the France Quantum 2025 Honorary Award
Jean-Philip Piquemal, co-founder and Chief Scientific Officer of deeptech company Qubit Pharmaceuticals, received the 2025 Honorary Award from France Quantum at its annual conference in Paris on June 10th. The...
Greedy gradient-free adaptive variational quantum algorithms on a noisy intermediate scale quantum computer
Check our new paper published in Scientific Reports: Greedy Gradient-free Adaptive Variational Quantum Algorithms on a Noisy Intermediate Scale Quantum Computer C. Feniou, M. Hassan, B. Claudon, A. Courtat, O....
VTX: Real-time high-performance molecular structure and dynamics visualization software.
Check this new paper published in Bioinformatics: VTX: Real-time high-performance molecular structure and dynamics visualization software. M. Maria, S. Guionnière, N. Dacquay, C. Plateau–Holleville, V. Guillaume, V. Larroque, J. Lardé,...
Pushing the Accuracy Limit of Foundation Neural Network Models with Quantum Monte Carlo Forces and Path Integrals .
Check this second preprint related to the FeNNix-Bio1 foundation machine learning model: Pushing the Accuracy Limit of Foundation Neural Network Models with Quantum Monte Carlo Forces and Path Integrals ....