John E. Pask

1. Efficient adaptive integration of functions with sharp gradients and cusps in <i>n</i>‐dimensional parallelepipeds
   2012/06/18 by Mohammad Mousavi, S.E. Mousavi, J.E. Pask +2 · 1 citation
   Engineering · Mathematics · #Advanced Numerical Methods in Computational Mathematics #Numerical methods in engineering #Numerical methods in inverse problems
2. Spectral-partitioned Kohn-Sham density functional theory
   2023/05/15 by Babak Sadigh, Sadigh, Babak, Daniel Åberg +3 · 2 citations
   Materials Science · Physics and Astronomy · #Advanced Chemical Physics Studies #Chemical Physics (physics.chem-ph) #Electronic and Structural Properties of Oxides #FOS: Physical sciences #Magnetic and transport properties of perovskites and related materials #Plasma Physics (physics.plasm-ph)
3. SPARC: Simulation Package for Ab-initio Real-space Calculations
   2020/05/21 by Qimen Xu, Xu, Qimen, Abhiraj Sharma +13 · 2 citations
   Chemistry · Materials Science · Physics and Astronomy · #Advanced Chemical Physics Studies #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci) #Zeolite Catalysis and Synthesis
4. Kohn-Sham accuracy from orbital-free density functional theory via Δ-machine learning
   2023/10/10 by Shashikant Kumar, Xin Jing, Kumar, Shashikant +7 · 1 citation
   Materials Science · Physics and Astronomy · #Machine Learning in Materials Science #Advanced Chemical Physics Studies #Electron and X-Ray Spectroscopy Techniques
5. On-the-fly machine learned force fields for the study of warm dense matter: application to diffusion and viscosity of CH
   2024/02/21 by Shashikant Kumar, Xin Jing, Kumar, Shashikant +5 · 1 citation
   Engineering · Physics and Astronomy · #Advanced Thermodynamics and Statistical Mechanics #Computational Physics (physics.comp-ph) #FOS: Physical sciences #High Energy Physics - Theory (hep-th) #Phase Equilibria and Thermodynamics #Quantum, superfluid, helium dynamics
6. Spectral scheme for atomic structure calculations in density functional theory
   2024/06/01 by Sayan Bhowmik, Bhowmik, Sayan, John E. Pask +5 · 2 citations
   Chemical Engineering · Chemistry · #Catalysis and Oxidation Reactions #Chemical Thermodynamics and Molecular Structure #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Inorganic Fluorides and Related Compounds #Materials Science (cond-mat.mtrl-sci)