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20212026
most citedOverlap-ADAPT-VQE: Practical Quantum Chemistry on Quantum Computers via Overlap-Guided Compact Ansätze

54 citations

researchers with a paper here

Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.

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Showing 2023 · physics.chem-phShow all

2 papers · 2 filters

physics.chem-ph2023★ 23 cited

Lambda-ABF: Simplified, Portable, Accurate and Cost-effective Alchemical Free Energy Computations

Louis Lagardère, Lise Maurin, Olivier Adjoua +4

We introduce an efficient and robust method to compute alchemical free energy differences, resulting from the application of multiple walker Adaptive Biasing Force (ABF) in conjunc…

physics.chem-ph2023★ 29 cited

TREXIO: A File Format and Library for Quantum Chemistry

Evgeny Posenitskiy, Vijay Gopal Chilkuri, Abdallah Ammar +13

TREXIO is an open-source file format and library developed for the storage and manipulation of data produced by quantum chemistry calculations. It is designed with the goal of prov…