Johnston, Conrad
- ChemReasoner: Heuristic Search over a Large Language Model's Knowledge Space using Quantum-Chemical Feedback
2024/02/15 by Henry W. Sprueill, Sprueill, Henry W., Carl N. Edwards +15 · 6 citations
Computer Science · #Advanced Text Analysis Techniques #Artificial Intelligence (cs.AI) #Chemical Physics (physics.chem-ph) #Computational Engineering #FOS: Computer and information sciences #FOS: Physical sciences #Finance #Machine Learning (cs.LG) #and Science (cs.CE)
- AiiDA-defects: An automated and fully reproducible workflow for the complete characterization of defect chemistry in functional materials
2023/03/22 by Sokseiha Muy, Muy, Sokseiha, Conrad Johnston +3 · 1 citation
Decision Sciences · Materials Science · #Data Quality and Management #FOS: Physical sciences #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci) #Scientific Computing and Data Management