Quantum Chemical Data Generation as Fill-In for Reliability Enhancement of Machine-Learning Reaction and Retrosynthesis Planning
- Alessandra Toniato
- Jan Unsleber
- et al.
- 2023
- MRS Spring Meeting 2023
Talk
Publications
3555 results for Materials Discovery
Improving VO2 Granular Films’ CMOS Compatibility to Perform Oscillation-Based Computing
- Olivier Maher
- Nele Harnack
- et al.
- 2023
- MRS Spring Meeting 2023
TalkMachine-Learning Potentials for Molecular Dynamics Simulations of CO2 Chemisorption and Diffusion in Mg-MOF-74
- Binquan Luan
- Bowen Zheng
- et al.
- 2023
- MRS Spring Meeting 2023
TalkEnzyme Optimization via a Generative Language Modeling-Based Evolutionary Algorithm
- Yves Gaetan Nana Teukam
- Francesca Grisoni
- et al.
- 2023
- MRS Spring Meeting 2023
TalkUnconventional Resistivity Scaling in Topological Semimetal CoSi
- Hsin Lin
- Shang-Wei Lien
- et al.
- 2023
- MRS Spring Meeting 2023
TalkUnifying Molecular and Textual Representations via Multi-task Language Modelling
- Dimitrios Christofidellis
- Giorgio Giannone
- et al.
- 2023
- MRS Spring Meeting 2023
TalkExploring Topological Semimetals for Highly Scaled Interconnects Beyond Copper
- Ching-Tzu Chen
- Christian Lavoie
- et al.
- 2023
- MRS Spring Meeting 2023
TalkEnsemble Models for the Growth of Colloidal Sol-Gel Materials
- Tim Erdmann
- Jason Chen
- et al.
- 2023
- MRS Spring Meeting 2023
TalkVariable-Temperature Hall Study in High Performance Perovskite and Kesterite Films Using High Sensitivity Parallel-Dipole-Line Hall System
- Oki Gunawan
- Chaeyoun Kim
- et al.
- 2023
- MRS Spring Meeting 2023
PosterRegression Transformer enables concurrent sequence regression and generation for molecular language modelling
- Jannis Born
- Matteo Manica
- 2023
- Nature Machine Intelligence
Paper