Aaron D. Kaplan

1. A foundation model for atomistic materials chemistry
   2023/12/29 by Ilyes Batatia, Philipp Benner, Batatia, Ilyes +182 · 5 voices · 134 citations
   Materials Science · Decision Sciences · #physics.chem-ph #cond-mat.mtrl-sci
2. Accurate and numerically efficient r²SCAN meta-generalized gradient approximation
   2020/08/07 by James W. Furness, Aaron D. Kaplan, Furness, James W. +7 · 20 citations
   Chemistry · Earth and Planetary Sciences · Physics and Astronomy · #Advanced NMR Techniques and Applications #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #NMR spectroscopy and applications #Seismic Imaging and Inversion Techniques
3. Accurate and Numerically Efficient r²SCAN Meta-Generalized Gradient Approximation
   2020/09/02 by James W. Furness, Aaron D. Kaplan, Jinliang Ning +2 · 16 citations
   Chemistry · Materials Science · Physics and Astronomy · #Advanced Chemical Physics Studies #Advanced NMR Techniques and Applications #Machine Learning in Materials Science
4. Testing the r²SCAN density functional for the thermodynamic stability of solids with and without a van der Waals correction
   2022/08/04 by Manish Kothakonda, Aaron D. Kaplan, Kothakonda, Manish +15 · 7 citations
   Earth and Planetary Sciences · Engineering · #Advanced Materials Characterization Techniques #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Intermetallics and Advanced Alloy Properties #Materials Science (cond-mat.mtrl-sci) #nanoparticles nucleation surface interactions
5. A Foundational Potential Energy Surface Dataset for Materials
   2025/03/06 by Aaron D. Kaplan, Kaplan, Aaron D., Runze Liu +15 · 18 citations
   Materials Science · Physics and Astronomy · Chemistry · #Machine Learning in Materials Science #Quantum many-body systems #Advanced Physical and Chemical Molecular Interactions
6. Atomate2: modular workflows for materials science
   2025/01/01 by Alex M. Ganose, Hrushikesh Sahasrabuddhe, Mark Asta +53 · 2 voices · 6 citations
   Chemical Engineering · Decision Sciences · Materials Science · #Catalysis and Oxidation Reactions #Machine Learning in Materials Science #Scientific Computing and Data Management
7. Symmetry Breaking with the SCAN Density Functional Describes Strong Correlation in the Singlet Carbon Dimer
   2022/10/26 by John P. Perdew, Shah Tanvir ur Rahman Chowdhury, Perdew, John P. +9 · 2 citations
   Chemistry · Engineering · Physics and Astronomy · #Advanced Chemical Physics Studies #Advanced NMR Techniques and Applications #Atomic Physics (physics.atom-ph) #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Molecular Junctions and Nanostructures #Quantum Physics (quant-ph)
8. Revealing quasi-excitations in the low-density homogeneous electron gas with model exchange-correlation kernels
   2023/08/29 by Aaron D. Kaplan, Kaplan, Aaron D., Adrienn Ruzsinszky +1 · 1 citation
   Physics and Astronomy · Engineering · #Quantum and electron transport phenomena #Molecular Junctions and Nanostructures #Surface and Thin Film Phenomena