Publications

This is our catalog of recent publications authored by IBM researchers, in collaboration with the global research community. We’re currently adding our back catalog of more than 110,000 publications. It’s an ever-growing body of work that shows why IBM is one of the most important contributors to modern computing.

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15 results for ACS Spring 2021

Transformer-based neural networks capture organic chemistry grammar from unsupervised learning of chemical reactions
Philippe Schwaller, Benjamin Hoover, et al.2021ACS Spring 2021
Learning from literature-extracted synthesis actions for organic synthesis
Alain Vaucher, Philippe Schwaller, et al.2021ACS Spring 2021
Improved accuracy with a smaller footprint on the quantum computer
Mario Motta, Tanvi Gujarati, et al.2021ACS Spring 2021
Reducing circuit size in the variational quantum eigensolver
Andrew Eddins, Tanvi Gujarati, et al.2021ACS Spring 2021
Hardware efficient quantum algorithms for vibrational structure calculations
Pauline Jeanne Ollitrault, Alberto Baiardi, et al.2021ACS Spring 2021
Role of materials in quantum computing with superconducting circuits
Nicholas Bronn2021ACS Spring 2021
The effect of noise on the optimality of hardware efficient ansatz in VQE for small molecules
Waheeda Saib, Petros Wallden, et al.2021ACS Spring 2021
Considerations for evaluating thermodynamic properties with hybrid quantum-classical computing work-flows
Spencer Stober, Stuart Harwood, et al.2021ACS Spring 2021
Microcanonical and finite temperature ab initio molecular dynamics simulations on quantum computers
Igor Sokolov, Panagiotis Barkoutsos, et al.2021ACS Spring 2021
Quantum Chemistry with Quantum Computers and Neural Networks
Antonio Mezzacapo, Bryce Fuller, et al.2021ACS Spring 2021