Molecular quantum dynamics: a quantum computing perspective
- Pauline Jeanne Ollitrault
- Alexander Miessen
- et al.
- 2022
- ACS Spring 2022
Publications
Date
Featured collections
Popular topics
1797 results in 2022
Development of polymer information systems to support accelerated materials development via AI-enabled automated experimentation
- 2022
- ACS Spring 2022
Model for simulations of the CnEm nonionic surfactant family derived from recent experimental results
- William Swope
- Michael Johnston
- et al.
- 2022
- ACS Spring 2022
Accurate multi-endpoint molecular toxicity predictions in humans with contrastive explanations
- Bhanushee Sharma
- Vijil Chenthamarakshan
- et al.
- 2022
- ACS Spring 2022
Proposal for using molecular spin qudits as quantum simulators of light–matter interactions
- Francesco Tacchino
- Alessandro Chiesa
- et al.
- 2022
- ACS Spring 2022
Human-in-the-loop for a Disconnection Aware Retrosynthesis
- Andrea Antonia Byekwaso
- Alain Vaucher
- et al.
- 2022
- ACS Spring 2022
Identification of enzymatic active sites with unsupervised language modelling
- Loic Kwate Dassi
- Matteo Manica
- et al.
- 2022
- ACS Spring 2022
Emerging hybrid quantum-classical algorithms for quantum chemistry
- Mario Motta
- Julia Rice
- 2022
- APS March Meeting 2022
Quantum error correction on a superconducting system with heavy hexagon topology
- 2022
- APS March Meeting 2022
AI-driven predictions of binding trends of SARS-CoV-2 variants from atomistic simulations
- 2022
- APS March Meeting 2022