Publications

528 results for Accelerated Discovery

Symmetry Teleportation for Accelerated Optimization
- - Bo Zhao
  - Nima Dehmamy
  - et al.
- 2022
- NeurIPS 2022
A Data-driven Discovery Pipeline for Flue Gas Separation Homopolymer Membranes
- - Hsianghan Hsu
  - Matteo Manica
  - et al.
- 2022
- MRS Fall Meeting 2022
Self-Supervised Representations of Geo-located Weather Time Series - an Evaluation and Analysis
- - Arjun Ashok
  - Devyani Lambhate
  - et al.
- 2022
- AAAI-FS 2022
Bayesian Optimization for Field-Scale Geological Carbon Storage
- - Xyeying Lu
  - Kirk Jordan
  - et al.
- 2022
- Engineering
Augmented disconnection aware retrosynthesis to facilitate user interaction
- - Amol Thakkar
  - Andrea Antonia Byekwaso
  - et al.
- 2022
- ACS Fall 2022
Deep learning assisted Suzuki cross coupling catalyst design
- - Oliver Schilter
  - Federico Zipoli
  - et al.
- 2022
- ACS Fall 2022
Bridging the gap between rule-based expert systems and machine learning in computer-aided retrosynthetic design
- - Daniel Probst
  - Anastasia Sveshnikova
  - et al.
- 2022
- ACS Fall 2022
Combining high-quality, humanly curated data with language models: the dawn of on-demand machine learning models for digital chemistry
- - Alain Vaucher
  - Fiona Shortt de Hernandez
  - et al.
- 2022
- ACS Fall 2022
Large scale density estimation with polynomial expansions and Johnson-Lindenstrauss transformations
- - Aleksandros Sobczyk
  - Teodoro Laino
  - et al.
- 2022
- ACS Fall 2022
Guiding multistep retrosynthesis planning with continuous pathway representations
- - Jannis Born
  - Matteo Manica
  - et al.
- 2022
- ACS Fall 2022