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20092025
most citedSingle-cell analysis of growth in budding yeast and bacteria reveals a common size regulation strategy

225 citations

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physics.chem-ph2024★ 7 cited

Shortcut to Chemically Accurate Quantum Computing via Density-based Basis-set Correction

Diata Traore, Olivier Adjoua, César Feniou +8

Using GPU-accelerated state-vector emulation, we propose to embed a quantum computing ansatz into density-functional theory via density-based basis-set corrections (DBBSC) to obtai…

physics.chem-ph2022★ 47 cited

Scalable Hybrid Deep Neural Networks/Polarizable Potentials Biomolecular Simulations including long-range effects

Théo Jaffrelot Inizan, Thomas Plé, Olivier Adjoua +5

Deep-HP is a scalable extension of the \TinkerHP\ multi-GPUs molecular dynamics (MD) package enabling the use of Pytorch/TensorFlow Deep Neural Networks (DNNs) models. Deep-HP incr…