Colin A. Grambow
Publications by Year
Research Areas
Machine Learning in Materials Science, Computational Drug Discovery Methods, Various Chemistry Research Topics, Protein Structure and Dynamics, Chemical Thermodynamics and Molecular Structure
Most-Cited Works
- → Fabrication of Micro/Nano Structures on Metals by Femtosecond Laser Micromachining(2014)439 cited
- → Reaction Mechanism Generator v3.0: Advances in Automatic Mechanism Generation(2021)277 cited
- → Evaluating Scalable Uncertainty Estimation Methods for Deep Learning-Based Molecular Property Prediction(2020)225 cited
- → Deep Learning of Activation Energies(2020)159 cited
- → Reactants, products, and transition states of elementary chemical reactions based on quantum chemistry(2020)144 cited
- → RMG Database for Chemical Property Prediction(2022)138 cited
- → Accurate Thermochemistry with Small Data Sets: A Bond Additivity Correction and Transfer Learning Approach(2019)117 cited
- → Unimolecular Reaction Pathways of a γ-Ketohydroperoxide from Combined Application of Automated Reaction Discovery Methods(2017)112 cited
- → Generating transition states of isomerization reactions with deep learning(2020)75 cited
- → Self-Evolving Machine: A Continuously Improving Model for Molecular Thermochemistry(2019)69 cited