Sharma S R K C Yamijala

发表

Field Programmable Gate Arrays for Enhancing the Speed and Energy Efficiency of Quantum Dynamics Simulations.

Amin Kalantar, José M Rodrı Guez-Borbón, Sharma S R K C Yamijala, 2020, Journal of chemical theory and computation.

Acceleration vs Accuracy: Influence of Basis Set Quality on the Mechanism and Dynamics Predicted by Ab Initio Molecular Dynamics

Bryan M. Wong, Sharma S R K C Yamijala, Z. Ali, 2019, The Journal of Physical Chemistry C.

Linear and Nonlinear Optical Properties of Graphene Quantum Dots: A Computational Study

Sharma S R K C Yamijala, S. Pati, M. Mukhopadhyay, 2015, 1502.03196.

Degradation of Per- and Polyfluoroalkyl Substances with Hydrated Electrons: A New Mechanism from First-Principles Calculations

Sharma S R K C Yamijala, B. Wong, S. Biswas, 2022, Environmental science & technology.

Real-time degradation dynamics of hydrated per- and polyfluoroalkyl substances (PFASs) in the presence of excess electrons.

Bryan M. Wong, Sharma S R K C Yamijala, Ravindra Shinde, 2020, Physical chemistry chemical physics : PCCP.

Structural Stability, Electronic, Magnetic, and Optical Properties of Rectangular Graphene and Boron Nitride Quantum Dots: Effects of Size, Substitution, and Electric Field

Sharma S R K C Yamijala, S. Pati, Arkamita Bandyopadhyay, 2013, 1306.4873.

Photochemistry of Plasmonic Titanium Nitride Nanocrystals

Bryan M. Wong, Sharma S R K C Yamijala, K. Bozhilov, 2019, The Journal of Physical Chemistry C.

Single amino acid bionanozyme for environmental remediation

Sharma S R K C Yamijala, E. Gazit, L. Shimon, 2020, Nature Communications.

Field Programmable Gate Arrays for Enhancing the Speed and Energy Efficiency of Quantum Dynamics Simulations.

Bryan M. Wong, José M Rodrı Guez-Borbón, Sharma S R K C Yamijala, 2020, Journal of chemical theory and computation.

Tuning the electronic and optical properties of graphene and boron-nitride quantum dots by molecular charge-transfer interactions: a theoretical study.

Sharma S R K C Yamijala, S. Pati, Arkamita Bandyopadhyay, 2013, Physical chemistry chemical physics : PCCP.

Harnessing Plasma Environments for Ammonia Catalysis: Mechanistic Insights from Experiments and Large-Scale Ab Initio Molecular Dynamics.

Bryan M. Wong, Sharma S R K C Yamijala, L. Mangolini, 2020, The journal of physical chemistry letters.

Direct Nonadiabatic Simulations of the Photoinduced Charge Transfer Dynamics.

Sharma S R K C Yamijala, P. Huo, Sharma S. R. K. C. Yamijala, 2020, The journal of physical chemistry. A.

Effects of edge passivations on the electronic and magnetic properties of zigzag boron-nitride nanoribbons with even and odd-line stone–wales (5–7 pair) defects

Sharma S R K C Yamijala, S. Pati, Sharma S. R. K. C. Yamijala, 2013, 1405.4620.

Acceleration vs Accuracy: Influence of Basis Set Quality on the Mechanism and Dynamics Predicted by Ab Initio Molecular Dynamics

Bryan M. Wong, Sharma S R K C Yamijala, Z. Ali, 2019, The Journal of Physical Chemistry C.

A Machine Learning Approach for Predicting Defluorination of Per- and Polyfluoroalkyl Substances (PFAS) for Their Efficient Treatment and Removal

Bryan M. Wong, Sharma S R K C Yamijala, Akber Raza, 2019, Environmental Science & Technology Letters.

Synthesis and molecular structure of half-sandwich ruthenium(II) complexes containing pyrazolyl ligands: Solvent induced geometrical change in κ2-scorpionate supported complex

Sharma S R K C Yamijala, W. Brennessel, W. Jones, 2021, Journal of Molecular Structure.

The interaction of halogen molecules with SWNTs and graphene

Sharma S R K C Yamijala, S. Pati, Sandeep Ghosh, 2012 .

Alpha Lead Oxide (α-PbO): A New 2D Material with Visible Light Sensitivity.

Sharma S R K C Yamijala, G. Cheng, J. Irudayaraj, 2018, Small.

A hexanuclear Cu(I) cluster supported by cuprophilic interaction: effects of aromatics on luminescence properties

Sharma S R K C Yamijala, T. Maji, S. Pati, 2014 .

Stability of Calcium Ion Battery Electrolytes: Predictions from Ab Initio Molecular Dynamics Simulations.

Bryan M. Wong, Sharma S R K C Yamijala, Juchen Guo, 2021, ACS applied materials & interfaces.

Borophene via Micromechanical Exfoliation

Sharma S R K C Yamijala, E. S. Sadki, G. Cheng, 2021, Advanced materials.

Freestanding Borophene and Its Hybrids

Pranay Ranjan, Prashant Kumar, Sharma S R K C Yamijala, 2019, Advanced materials.

Electronic properties of zigzag, armchair and their hybrid quantum dots of graphene and boron-nitride with and without substitution: A DFT study

Sharma S R K C Yamijala, S. Pati, Arkamita Bandhyopadyay, 2014, 1405.4605.

Non-proteinaceous hydrolase comprised of a phenylalanine metallo-supramolecular amyloid-like structure

Sharma S R K C Yamijala, D. Eisenberg, M. Sawaya, 2019, Nature Catalysis.

Nitrogen-Doped Graphene Quantum Dots as Possible Substrates to Stabilize Planar Conformer of Au20 over Its Tetrahedral Conformer: A Systematic DFT Study

Sharma S R K C Yamijala, S. Pati, Arkamita Bandyopadhyay, 2014, 1406.3488.