Shiv Upadhyay

1. Recent developments in the PySCF program package
   2020/07/09 by Qiming Sun, Xing Zhang, Samragni Banerjee +53 · 168 citations
   Chemical Engineering · Materials Science · Physics and Astronomy · #Advanced Chemical Physics Studies #Catalysis and Oxidation Reactions #Machine Learning in Materials Science
2. A Python Program for Solving Schrödinger’s Equation in Undergraduate Physical Chemistry
   2017/04/17 by Matthew N. Srnec, Shiv Upadhyay, Jeffry D. Madura · 9 citations
   Computer Science · Physics and Astronomy · #Computational Physics and Python Applications #Experimental and Theoretical Physics Studies
3. Chirality-Driven Magnetization Emerges from Relativistic Four-Current Dynamics
   2025/04/03 by Shiv Upadhyay, Upadhyay, Shiv, Zheng, Xuechen +10 · 1 citation
   Chemistry · Engineering · Materials Science · #Applied Physics (physics.app-ph) #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Magnetism in coordination complexes #Mesoscale and Nanoscale Physics (cond-mat.mes-hall) #Molecular Junctions and Nanostructures #Synthesis and Properties of Aromatic Compounds