C. D. Pemmaraju
- INQ, a modern GPU-accelerated computational framework for\n (time-dependent) density functional theory
2021/06/07 by Xavier Andrade, C. D. Pemmaraju, Andrade, Xavier +15 · 7 citations
Chemistry · Computer Science · Materials Science · #Advanced NMR Techniques and Applications #Chemical Physics (physics.chem-ph) #Distributed and Parallel Computing Systems #FOS: Physical sciences #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci) #Parallel Computing and Optimization Techniques
- Advanced calculations of x-ray spectroscopies with FEFF10 and Corvus
2021/06/24 by J. J. Kas, Fernando D. Vila, Kas, J. J. +7 · 4 citations
Materials Science · Physics and Astronomy · #Computational Physics (physics.comp-ph) #Electron and X-Ray Spectroscopy Techniques #FOS: Physical sciences #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci) #X-ray Spectroscopy and Fluorescence Analysis
- Valence and core excitons in solids from velocity-gauge real-time TDDFT with range-separated hybrid functionals: An LCAO approach
2018/09/30 by C. D. Pemmaraju, Pemmaraju, C. D. · 2 citations
Physics and Astronomy · #Advanced Chemical Physics Studies #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #Photorefractive and Nonlinear Optics #Spectroscopy and Quantum Chemical Studies
- Simulation of attosecond transient soft X-ray absorption in solids using generalized Kohn-Sham real-time TDDFT
2020/06/03 by C. D. Pemmaraju, Pemmaraju, C. D. · 2 citations
Physics and Astronomy · #Advanced Chemical Physics Studies #FOS: Physical sciences #Laser-Matter Interactions and Applications #Materials Science (cond-mat.mtrl-sci) #X-ray Spectroscopy and Fluorescence Analysis
- Full spectrum optical constant interface to the Materials Project
2021/08/24 by J. J. Kas, Kas, J. J., Fernando D. Vila +11 · 1 citation
Chemical Engineering · Materials Science · #Catalysis and Oxidation Reactions #FOS: Physical sciences #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci) #X-ray Diffraction in Crystallography
- Impurity-ion pair induced high-temperature ferromagnetism in Co-doped ZnO
2008/01/31 by C. D. Pemmaraju, R. Hanafin, Ruairi Hanafin +6 · 1 citation
Materials Science · Physics and Astronomy · #Advanced Condensed Matter Physics #Magnetic and transport properties of perovskites and related materials #ZnO doping and properties #cond-mat.mtrl-sci