Siva Rama Krishna Chaitanya Sharma Yamijala
Assistant Professor
Publications - 34Publications - 34
Publications - 34Publications (34)
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- ArticlesDegradation of Per-and Polyfluoroalkyl Substances with Hydrated Electrons: A New Mechanism from First-Principles Calculations2022 | American Chemical Society
- ArticlesStability of Calcium Ion Battery Electrolytes: Predictions from Ab Initio Molecular Dynamics Simulations2021 | American Chemical Society
- ArticlesDirect Nonadiabatic Simulations of the Photoinduced Charge Transfer Dynamics2021 | American Chemical Society
- ArticlesImproved Band Gaps and Structural Properties from Wannier–Fermi–L{\"{o}}wdin Self-interaction Corrections for Periodic Systems2020 | IOP Publishing Ltd
- ArticlesReal-time Degradation Dynamics of Hydrated Per-and Polyfluoroalkyl Substances (PFASs) in the Presence of Excess Electrons2020 | Royal Society of Chemistry
- ArticlesHarnessing Plasma Environments for Ammonia Catalysis: Mechanistic Insights from Experiments and Large-Scale Ab Initio Molecular Dynamics2020 | American Chemical Society
- ArticlesField Programmable Gate Arrays for Enhancing the Speed and Energy Efficiency of Quantum Dynamics Simulations2020 | American Chemical Society
- ArticlesA machine learning approach for predicting defluorination of per-and polyfluoroalkyl substances (PFAS) for their efficient treatment and removal2019 | American Chemical Society
- ArticlesNon-proteinaceous Hydrolase Comprised of a Phenylalanine Metallo-supramolecular Amyloid-like Structure2019 | Nature Publishing Group
- ArticlesAcceleration vs accuracy: Influence of basis set quality on the mechanism and dynamics predicted by ab initio molecular dynamics2019 | American Chemical Society
- ArticlesAlpha Lead Oxide ($\alpha$‐PbO): A New 2D Material with Visible Light Sensitivity2018 | Wiley-VCH Verlag
- ArticlesQuasi-diabatic Representation for Nonadiabatic Dynamics Propagation2018 | American Chemical Society
- ArticlesPressure Induced Structural, Electronic Topological and Semiconductor to Metal Transition in AgBiSe22016 | American Institute of Physics Inc.
