Cost-Sensitive Bayesian Active Molecular Design with Auxiliary Properties
- Elliot Nelson
- Dmitry Zubarev
- 2023
- MRS Spring Meeting 2023
Publications
3494 results for Materials Discovery
Exploring Topological Semimetals for Highly Scaled Interconnects Beyond Copper
- Ching-Tzu Chen
- Christian Lavoie
- et al.
- 2023
- MRS Spring Meeting 2023
Unifying Molecular and Textual Representations via Multi-task Language Modelling
- Dimitrios Christofidellis
- Giorgio Giannone
- et al.
- 2023
- MRS Spring Meeting 2023
Enzyme Optimization via a Generative Language Modeling-Based Evolutionary Algorithm
- Yves Gaetan Nana Teukam
- Francesca Grisoni
- et al.
- 2023
- MRS Spring Meeting 2023
Interfacial Bonding and Thermal Conductivity in Polymer-Glass Nanocomposites with Ultra-High Interfacial Density
- David Collinson
- Yang Wang
- et al.
- 2023
- MRS Spring Meeting 2023
Ensemble Models for the Growth of Colloidal Sol-Gel Materials
- Tim Erdmann
- Jason Chen
- et al.
- 2023
- MRS Spring Meeting 2023
Variable-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
Regression Transformer enables concurrent sequence regression and generation for molecular language modelling
- Jannis Born
- Matteo Manica
- 2023
- Nature Machine Intelligence
Chemical representation learning for toxicity prediction
- Jannis Born
- Greta Markert
- et al.
- 2023
- Digital Discovery
Surrogate models for the synthesis of colloidal sol-gel materials
- Tim Erdmann
- Jason Chen
- et al.
- 2023
- ACS Spring 2023