the Piquemal Group

Optimal Framework Constructs Lie-Algebra Generator Pools, Enabling Efficient Variational Quantum Eigensolvers For Chemistry Researchers have developed a new mathematical strategy that efficiently identifies the essential building blocks of complex systems, dramatically improving computational power for applications ranging...

Quantum Zeitgeist @superposition.bsky.social highlighted our recent preprint: "An Optimal Framework for Constructing Lie-Algebra Generator Pools: Application to Variational Quantum Eigensolvers for Chemistry" #quantumcomputing #compchem
quantumzeitgeist.com/variational-...

#quantumcomputing Check our “Behind the paper” post on the @nature.com Physics community.

@qubit-pharma.bsky.social @sorbonne-universite.fr @cnrs.fr
communities.springernature.com/posts/quantu...

Ce lundi 8/12, je représenterai @qubit-pharma.bsky.social à la journée "𝐐𝐮𝐚𝐧𝐭𝐮𝐦 & 𝐈𝐧𝐭𝐞𝐥𝐥𝐢𝐠𝐞𝐧𝐜𝐞 𝐀𝐫𝐭𝐢𝐟𝐢𝐜𝐢𝐞𝐥𝐥𝐞 - 𝐕𝐞𝐫𝐬 𝐮𝐧𝐞 𝐜𝐨𝐧𝐯𝐞𝐫𝐠𝐞𝐧𝐜𝐞 𝐝𝐞𝐬 𝐫𝐮𝐩𝐭𝐮𝐫𝐞𝐬 𝐭𝐞𝐜𝐡𝐧𝐨𝐥𝐨𝐠𝐢𝐪𝐮𝐞𝐬 ?".
evenium.events/quantum-inte...

#quantumcomputing #AI #artificialintelligence #machinelearning

#quantumcomputing #compchem
New preprint! The presented mathematical framework is general & applicable well beyond chemistry in fields including quantum error correction, quantum control, quantum machine learning, and more universally wherever compact Pauli basis are required. Congrats to the team!

#compchem #compchemsky #quantumcomputing
New group preprint: "An Optimal Framework for Constructing Lie-Algebra Generator Pools: Application to Variational Quantum Eigensolvers for Chemistry."
👉Check it out: arxiv.org/abs/2511.22593
@piquemalgroup.bsky.social @qubit-pharma.bsky.social

#chemsky #compchem #compchemsky

#chemsky

@qubit-pharma.bsky.social .

#compchem #quantumcomputing
New paper published @natcomms.nature.com
"Quantum Speedup for Nonreversible Markov Chains".
👉Check it out #openaccess.
Congrats to B. Claudon and another maths/chemistry collaboration with P. Monmarché.
www.nature.com/articles/s41...

Supercalculateurs : droit au bit Depuis quelques années, on entend beaucoup parler de ”supercalculateurs”. Mais ces géants silencieux ont toujours fait partie de l’histoire de l’informatique, et la guerre de clochers à laquelle on as...

Un grand merci à @natachatriou.bsky.social pour nous avoir reçu dans l'émission #SciencesCQFD sur @franceculture.fr pour discuter des usages des supercalculateurs.

@sorbonne-universite.fr / @cnrs.fr
@qubit-pharma.bsky.social

www.radiofrance.fr/francecultur...

Happy Halloween!!!

#compchem #machinelearning #quantumcomputing
We have several open positions & we are looking for:
- 2 postdocs in machine learning to work on foundation models (theoretical developments)
- 2 HPC engineers: quantum computing(1); ab initio computations and QM/MM (2)
Reach to me for more details.

Ravi d'avoir participé au #podcast: "Les Echos de l'IA" @lesechosfr.bsky.social présenté par Joséphine Boone où j'ai pu discuter des avancées de l'intelligence artificielle pour la découvert de nouveaux médicaments. #AI #compchem #drugdesign #biosky
pod.link/1340227916/e...

#compchem New group preprint: "From Water Networks to Binding Affinities: Resolving Solvation Dynamics for Accurate Protein-Ligand Predictions"

👉Check it out: www.biorxiv.org/content/10.1...
Great work by M. Blazhynska.
#compbio #drugdesign

We updated the preprint with the version submitted to peer review. Additional speedup: up to 2.7-fold in large protein systems . #compchem Check it out: arxiv.org/abs/2510.06562

Happy to participate to the NAMD meeting @uchicagopress.bsky.social #compchem #compbio
www.ks.uiuc.edu/Research/namd/

#compchem #compbio New preprint: "𝐀𝐜𝐜𝐞𝐥𝐞𝐫𝐚𝐭𝐢𝐧𝐠 𝐌𝐨𝐥𝐞𝐜𝐮𝐥𝐚𝐫 𝐃𝐲𝐧𝐚𝐦𝐢𝐜𝐬 𝐒𝐢𝐦𝐮𝐥𝐚𝐭𝐢𝐨𝐧𝐬 𝐰𝐢𝐭𝐡 𝐅𝐨𝐮𝐧𝐝𝐚𝐭𝐢𝐨𝐧 𝐍𝐞𝐮𝐫𝐚𝐥 𝐍𝐞𝐭𝐰𝐨𝐫𝐤 𝐌𝐨𝐝𝐞𝐥𝐬 𝐮𝐬𝐢𝐧𝐠 𝐌𝐮𝐥𝐭𝐢𝐩𝐥𝐞 𝐓𝐢𝐦𝐞-𝐒𝐭𝐞𝐩 𝐚𝐧𝐝 𝐃𝐢𝐬𝐭𝐢𝐥𝐥𝐚𝐭𝐢𝐨𝐧" in link with our #FeNNix-Bio1 foundation #machinelearning model.

👉 Check it out: arxiv.org/abs/2510.06562

The paper is #openaccess. You can also check the related blog @qubit-pharma.bsky.social :
blog.qubit-pharmaceuticals.com/blog/unlocki...

Top quantum algorithms papers — Summer 2025 edition | PennyLane Blog We've selected our favourite papers from the third quarter of 2025. Read our takeaways from the top quantum algorithms papers that we admire and that have been influential to our research.

Thank you @pennylaneai.bsky.social for selecting our work in your "𝐓𝐨𝐩 𝐪𝐮𝐚𝐧𝐭𝐮𝐦 𝐚𝐥𝐠𝐨𝐫𝐢𝐭𝐡𝐦𝐬 𝐩𝐚𝐩𝐞𝐫𝐬 — 𝐒𝐮𝐦𝐦𝐞𝐫 2025 𝐞𝐝𝐢𝐭𝐢𝐨𝐧".
pennylane.ai/blog/2025/09...

👉 Check the paper (link in comment)

#compchem #compbio Happy to be part of this new paper just published in @commsbio.nature.com : "Targeting RNA with Small Molecules using State-of-the-Art Methods Provides Highly Predictive Affinities of Riboswitch Inhibitors."
www.nature.com/articles/s42...
@qubit-pharma.bsky.social

On my way to the @acs.org Fall 2025 meeting for the "Exploring the Role of Quantum Computing in Advancing Drug Discovery" symposium. My talk: "Converging Quantum algorithms & machine learning for Drug Design application".
18/08/25, 9:40 AM (Ballroom C) #compchem #machinelearning #quantumcomputing

Real-Space Chemistry on Quantum Computers: A Fault-Tolerant Algorithm with Adaptive Grids and Transcorrelated Extension First-quantized, real-space formulations of quantum chemistry on quantum computers are appealing: qubit count scales logarithmically with spatial resolution, and Coulomb operators achieve quadratic in...

A molecule-adaptive, non-uniform grid approach for first-quantized quantum chemistry enables efficient resolution of electron-nuclear cusps and eliminates Coulomb singularities, allowing accurate ground-state simulations on quantum hardware.
@jppiquem.bsky.social
arxiv.org/abs/2507.20583

C\'esar Feniou, Christopher Cherfan, Julien Zylberman, Baptiste Claudon, Jean-Philip Piquemal, Emmanuel Giner
Real-Space Chemistry on Quantum Computers: A Fault-Tolerant Algorithm with Adaptive Grids and Transcorrelated Extension
https://arxiv.org/abs/2507.20583

Real-Space Chemistry on Quantum Computers: A Fault-Tolerant Algorithm with Adaptive Grids and Transcorrelated Extension First-quantized, real-space formulations of quantum chemistry on quantum computers are appealing: qubit count scales logarithmically with spatial resolution, and Coulomb operators achieve quadratic in...

New preprint: "Real-Space Chemistry on Quantum Computers: A Fault-Tolerant Algorithm with Adaptive Grids and Transcorrelated Extension".
arxiv.org/abs/2507.20583

#compchem #compchemsky #quantumcomputing

#compchem Our #quantumcomputing paper "Non-iterative disentangled unitary coupled-cluster based on lie-algebraic structure" published in Quantum Science and Technology @iopp-quantum.bsky.social just switched to #openaccess.
iopscience.iop.org/article/10.1...

#compchem Congrats to Nicolaï Gouraud who brilliantly defended his #applliedmathematics PhD thesis yesterday @sorbonne-universite.fr. @lct-umr7616.bsky.social @qubit-pharma.bsky.social