Growing Strings in a Chemical Reaction Space for Searching Retrosynthesis Pathways
- 2023
- MRS Spring Meeting 2023
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27 results at MRS Spring Meeting 2023
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
Cost-Sensitive Bayesian Active Molecular Design with Auxiliary Properties
- Elliot Nelson
- Dmitry Zubarev
- 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
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
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
Phase Change In-Memory Computing
- 2023
- MRS Spring Meeting 2023