Check our new paper in Physical Review Research: Leveraging Analog Quantum Computing with Neutral Atoms for Solvent Configuration Prediction in Drug Discovery.. M. D’Arcangelo, L.-Paul. Henry, L. Henriet, D. Loco,...
Check our new paper in Chemical Science: Water-Glycan Interactions Drive the SARS-CoV-2 Spike Dynamics: Insights into Glycan-Gate Control and Camouflage Mechanism. M. Blazhynska, L. Lagardère, C. Liu, O. Adjoua, P. Ren, J.-P. Piquemal, Chemical Science, 2024,...
Check our new paper in the Journal of Chemical Physics FeNNol: An efficient and flexible library for building force-field-enhanced neural network potentials T. Plé, O. Adjoua, L. Lagardère, J.-P. Piquemal,...
Check our new paper in Nature Communications : Polylogarithmic-depth controlled-NOT gates without ancilla qubits. B. Claudon, J. Zylberman, C. Feniou, F. Debbasch, A. Peruzzo, J.-P. Piquemal, Nat. Commun., 2024, 15, 5886 (Open...
Check our new paper in the Journal of Physical Chemistry Letters (COVER): Sparse Quantum State Preparation for Strongly Correlated Systems C. Feniou, O. Adjoua, B. Claudon, J. Zylberman, E. Giner, J.-P. Piquemal, J. Phys. Chem....
New article published in JCTC: « Lambda-ABF: Simplified, Accurate and Cost-effective Alchemical Free Energy Computations« by L. Lagardère, L. Maurin, O. Adjoua, K. El Hage, P. Monmarché, J.-P. Piquemal, J. Hénin, J....
New article published in Chemical Science: Force-Field-Enhanced Neural Network Interactions: from Local Equivariant Embedding to Atom-in-Molecule properties and long-range effects. T. Plé, L. Lagardère, Jean-Philip Piquemal, Chem. Sci., 2023, 14, 12554-12569....
Check our new paper in Communications Physics : Overlap-ADAPT-VQE: practical quantum chemistry on quantum computers via overlap-guided compact Ansätze C. Feniou, M. Hassan, D. Traoré, E. Giner, Y. Maday, J.-P. Piquemal, Commun. Phys., 2023, 6, 192 (Open...
New article published in Chemical Science: Scalable Hybrid Deep Neural Networks/Polarizable Potentials Biomolecular Simulations including Long-range Effects. T. Jaffrelot Inizan, T. Plé, O. Adjoua, P. Ren, H. Gökcan, O. Isayev, L....
