1k citations
- Roche (Switzerland)CH5 papers
- Novartis (Switzerland)CH4 papers
- Science Wares (United States)US4 papers
- University of TorontoCA4 papers
- Bayer (Germany)DE3 papers
- Google (United States)US3 papers
- Imperial College LondonGB3 papers
- Pacific Northwest National LaboratoryUS3 papers
- AstraZeneca (United Kingdom)GB2 papers
- Boehringer Ingelheim (China)CN2 papers
- Boehringer Ingelheim (Egypt)EG2 papers
- Bristol-Myers Squibb (Germany)DE2 papers
21 papers
Fullqubit alchemist: Quantum algorithm for alchemical free energy calculations
Po-Wei Huang, Gregory Boyd, Gian-Luca R. Anselmetti +11
Accurately computing the free energies of biological processes is a cornerstone of computer-aided drug design, but it is a daunting task. The need to sample vast conformational spa…
Improving AI-Based Canine Heart Disease Diagnosis with Expert-Consensus Auscultation Labeling
Pinar Bisgin, Tom Strube, Niklas Tschorn +8
Noisy labels pose significant challenges for AI model training in veterinary medicine. This study examines expert assessment ambiguity in canine auscultation data, highlights the n…
Faster quantum chemistry simulations on a quantum computer with improved tensor factorization and active volume compilation
Athena Caesura, Cristian L. Cortes, William Pol +8
Electronic structure calculations of molecular systems are among the most promising applications for fault-tolerant quantum computing (FTQC) in quantum chemistry and drug design. H…
Reducing the runtime of fault-tolerant quantum simulations in chemistry through symmetry-compressed double factorization
Dario Rocca, Cristian L. Cortes, Jerome Gonthier +7
Quantum phase estimation based on qubitization is the state-of-the-art fault-tolerant quantum algorithm for computing ground-state energies in chemical applications. In this contex…
Estimation of electrostatic interaction energies on a trapped-ion quantum computer
Pauline J. Ollitrault, Matthias Loipersberger, Robert M. Parrish +12
We present the first hardware implementation of electrostatic interaction energies using a trapped-ion quantum computer. As test system for our computation, we focus on the reducti…
Improved precision scaling for simulating coupled quantum-classical dynamics
Sophia Simon, Raffaele Santagati, Matthias Degroote +3
We present a super-polynomial improvement in the precision scaling of quantum simulations for coupled classical-quantum systems in this paper. Such systems are found, for example,…