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
Publications
27 results at MRS Spring Meeting 2023
Cost-Sensitive Bayesian Active Molecular Design with Auxiliary Properties
- Elliot Nelson
- Dmitry Zubarev
- 2023
- MRS Spring Meeting 2023
An Analytical Approach to Understanding Mushroom-Type Phase Change Memories
- Stephan Menzel
- Benedikt Kersting
- et al.
- 2023
- MRS Spring Meeting 2023
Conductive-TaOx/HfOx Based RRAM Devices with Enhanced Properties for Training Deep Neural Networks
- Tommaso Stecconi
- Donato Francesco Falcone
- et al.
- 2023
- MRS Spring Meeting 2023
Machine-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
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
Enzyme Optimization via a Generative Language Modeling-Based Evolutionary Algorithm
- Yves Gaetan Nana Teukam
- Francesca Grisoni
- et al.
- 2023
- MRS Spring Meeting 2023
Identification of Structural Phases in Al Doped HfO2-based Ferroelectric Films by DFT-Assisted EXAFS Analysis
- M. Alper Sahiner
- Rory Vander Valk
- et al.
- 2023
- MRS Spring Meeting 2023
Phase Change Materials from the Thermal Point of View
- Nele Harnack
- Pengyan Wen
- 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