Model for simulations of the CnEm nonionic surfactant family derived from recent experimental results
- William Swope
- Michael Johnston
- et al.
- 2022
- ACS Spring 2022
Publications
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
Development of polymer information systems to support accelerated materials development via AI-enabled automated experimentation
- 2022
- ACS Spring 2022
Molecular quantum dynamics: a quantum computing perspective
- Pauline Jeanne Ollitrault
- Alexander Miessen
- et al.
- 2022
- ACS Spring 2022
A facile and efficient approach to cyclic carbonate monomers for ring-opening polymerization
- 2022
- ACS Spring 2022
Quantum algorithms for quantum dynamics: A performance study on the spin-boson model
- Alexander Miessen
- Pauline Jeanne Ollitrault
- et al.
- 2022
- ACS Spring 2022
Improvements in accuracy of quantum algorithms for chemical systems, without additional cost
- Julia Rice
- Mario Motta
- et al.
- 2022
- ACS Spring 2022
Accelerating materials discovery for carbon dioxide capture, conversion and storage
- 2022
- ACS Spring 2022
Identification of enzymatic active sites with unsupervised language modelling
- Loic Kwate Dassi
- Matteo Manica
- et al.
- 2022
- ACS Spring 2022