Samuel T. Chill
Publications by Year
Research Areas
Advanced Chemical Physics Studies, Machine Learning in Materials Science, Chemical Synthesis and Analysis, Chemical Synthesis and Reactions, Catalytic Processes in Materials Science
Most-Cited Works
- → QuantumATK: an integrated platform of electronic and atomic-scale modelling tools(2019)1,787 cited
- → Assessment of the Performance of the M05−2X and M06−2X Exchange-Correlation Functionals for Noncovalent Interactions in Biomolecules(2008)877 cited
- → A Theoretical and Experimental Approach for Correlating Nanoparticle Structure and Electrocatalytic Activity(2015)89 cited
- → EON: software for long time simulations of atomic scale systems(2014)74 cited
- → A theoretical and experimental examination of systematic ligand-induced disorder in Au dendrimer-encapsulated nanoparticles(2013)72 cited
- → Benchmarks for Characterization of Minima, Transition States, and Pathways in Atomic, Molecular, and Condensed Matter Systems(2014)59 cited
- → Probing the Limits of Conventional Extended X-ray Absorption Fine Structure Analysis Using Thiolated Gold Nanoparticles(2015)54 cited
- → A Facile One-Pot Conversion of Aldehydes into Nitriles(2009)42 cited
- → Molecular dynamics saddle search adaptive kinetic Monte Carlo(2014)39 cited
- → A combined theoretical and experimental EXAFS study of the structure and dynamics of Au147 nanoparticles(2016)32 cited