Happy to see this one out! Ever wonder what we can do with a Rydberg atom array Quantum Processing Unit? Check out our new preprint: "Leveraging Analog #QuantumComputing with Neutral Atoms for Solvent Configuration Prediction in Drug Discovery". A collective effort involving Qubit Pharmaceuticals, Pasqal and our group. #compchem https://arxiv.org/abs/2309.12129
#compchem🔥Hot off the press🔥
Our #quantumcomputing paper introducing the Overlap-ADAPT-VQE method to grow wave-functions by maximizing their overlap with any intermediate target wave-function is now online in Communications Physics. Sorry for the barren plateaus!!!😃
Shout out to the amazing César Feniou & Muhammad Hassan. Great interdisciplinary collaboration with Yvon Maday.
https://rdcu.be/dh2QY
#QuantumComputing #compchem New #preprint: Greedy Gradient-free Adaptive Variational Quantum Algorithms on a Noisy Intermediate Scale Quantum Computer. https://arxiv.org/abs/2306.17159
#compchem #quantumcomputing Good read although too pessimistic in my opinion. Not sure the conclusions will last long but we will see rapidly. "Evaluating the evidence for exponential quantum advantage in ground-state quantum chemistry" https://www.nature.com/articles/s41467-023-37587-6
#compchem Just published @JPhysChem A: Extension of the Trotterized Unitary Coupled Cluster to Triple Excitations. Quantum Chemistry & #quantumcomputing: introducing UCCSDT!!! Great work by @HaidarM54481494. Another nice collab. with MJ Rančić & Y. Maday. https://doi.org/10.1021/acs.jpca.3c01753
Join me today at the @nvidia #GTC23. I will present some our group join efforts with @qubit_pharma to develop the HYPERION QC simulator: "How Short-Term Hybrid #HPC-#quantumcomputing can Accelerate #drugdiscovery" [S51584], Mar 22 3:00 PM CET #compchem https://www.nvidia.com/gtc/session-catalog/?tab.catalogallsessionstab=16566177511100015Kus&search=piquemal#/session/1666624617519001WoIw
RT @qubit_pharma
🧐 Wondering how #quantumcomputing can impact #drugdiscovery on the near term?
🤩 Look no further! Don't miss Jean-Philip Piquemal (@jppiquem)'s talk at @nvidia #GTC23 on wednesday march 22nd 3:00 - 3:25PM CET! #compchem
👉 click here to register : https://www.nvidia.com/gtc/session-catalog/?tab.catalogallsessionstab=16566177511100015Kus&search=piquemal#/session/1666624617519001WoIw
#compchem #quantumcomputing Just out @ WIRES Comp Mol Sci and #OpenAccess : Open source variational quantum eigensolver extension of the quantum learning machine for quantum chemistry. Great work by M. Haidar & nice collab. with M. J. Rančić, Y. Maday https://doi.org/10.1002/wcms.1664
#compchem #quantumcomputing Good read: Grid-based methods for chemistry simulations on a quantum computer http://dx.doi.org/10.1126/sciadv.abo7484
#compchem #quantumcomputing Good read: Reference-State Error Mitigation: A Strategy for High Accuracy Quantum Computation of Chemistry https://doi.org/10.1021/acs.jctc.2c00807
3/ The Overlap-ADAPT-VQE can be used as a compression strategy for ADAPT but can also be initialized with accurate Selected-Configuration Interaction classical target wave-functions paving the way for chemically accurate simulations of larger systems. #compchem #quantumcomputing
2/ By avoiding building the ansatz in the energy landscape strewn with local minima, the Overlap-ADAPT-VQE produces ultra-compact ansätze suitable for high-accuracy initializations of a new ADAPT procedure resulting in massive savings in circuit depth #compchem #quantumcomputing
RT @jppiquem@twitter.com
#compchem #quantumcomputing New #preprint: Overlap-ADAPT-VQE: Practical Quantum Chemistry on Quantum Computers via Overlap-Guided Compact Ansätze. Great work by @ChemCesar@twitter.com (@qubit_pharma@twitter.com) & M. Hassan; nice theochem/maths interdiscipl. collab. with Y. Maday https://doi.org/10.48550/arXiv.2301.10196
#compchem #quantumcomputing New #preprint: Overlap-ADAPT-VQE: Practical Quantum Chemistry on Quantum Computers via Overlap-Guided Compact Ansätze. Great work by C. Feniou and M. Hassan; nice theochem/maths interdisciplinary collaboration with Y. Maday. https://doi.org/10.48550/arXiv.2301.10196
#compchem #quantumcomputing New #preprint: Extension of the Trotterized Unitary Coupled Cluster to Triple Excitations. Nice work by @HaidarM54481494@twitter.com
https://doi.org/10.48550/arXiv.2212.12462
#compchem Finally out @PhysRevA@twitter.com: Calculating the ground-state energy of benzene under spatial deformations with noisy #quantumcomputing. This work with W. Sennane & M. Rančić aimed to estimate the feasibility of using the UCC ansatz on near-term devices. https://doi.org/10.1103/PhysRevA.107.012416
We have an open position for a a senior researcher in #quantumcomputing for #compchem @qubit_pharma@twitter.com. https://qubitpharmaceuticals.teamtailor.com/jobs/2265349-senior-researcher-in-quantum-computing
RT @qubit_pharma@twitter.com
We are very pleased to announce a strategic collaboration with @NVIDIA@twitter.com to develop a world leading #HPC- #Quantumcomputing platform to accelerate #drugdiscovery!🚀 We will benefit from NVIDIA's #DGX infrastructure together with #QODA and #CuQuantum https://blogs.nvidia.com/blog/2022/11/30/qubit-pharmaceuticals-accelerates-drug-discovery-quantum-computing/
🐦🔗: https://twitter.com/qubit_pharma/status/1598193283377008640
#quantumcomputing Good read: Pioneering quantum information science https://doi.org/10.1038/s43588-022-00368-0
#quantumcomputing Good read: Challenges and opportunities in quantum machine learning https://doi.org/10.1038/s43588-022-00311-3
Jean-Philip Piquemal
Director @LCT_UMR7616 & Professor of Chemistry - Sorbonne Université;
BME Adjunct Professor @UT Austin;
CSO @ http://qubit-pharmaceuticals.com;
EMC2 #ERCSyG project (https://erc-emc2.eu).
(My Views)
Research interests: Multiscale Quantum Chemistry & Molecular Simulation;
Development of the Tinker-HP (https://tinker-hp.org) molecular dynamics package.
#compchem #HPC #supercomputing #quantumcomputing #machinelearning
#chemiverse #chemistry