Priyanka B. Shukla

Sambalpur University — India

Chemistry · Physical Sciences

7h-index180citations15works1.02yr avg
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Research Topics

Metal-Organic Frameworks: Synthesis and Applications(5), Advanced Chemical Physics Studies(3), Atomic and Molecular Physics(2), Aluminum Alloy Microstructure Properties(2), Aluminum Alloys Composites Properties(2)

Publications15 total

Reactive Active Learning: An Efficient Approach for Training Machine Learning Interatomic Potentials for Reacting Systems
Journal of Chemical Theory and Computation·2025· 2 citedOpen Access
Atomic ionization: sd energy imbalance and Perdew–Zunger self-interaction correction energy penalty in 3d atoms
Proceedings of the National Academy of Sciences·2025· 2 citedOpen Access
ML-Powered Pot Performance Prediction in Aluminium Smelter
˜The œminerals, metals & materials series·2025
Atomic Ionization: sd energy imbalance and Perdew-Zunger self-interaction correction energy penalty in 3d atoms
arXiv (Cornell University)·2024Open Access
Use of FLOSIC for understanding anion-solvent interactions
The Journal of Chemical Physics·2023· 8 citedOpen Access
Calculation of Self, Corrected, and Transport Diffusivities of Isopropyl Alcohol in UiO-66
Nanomaterials·2023· 6 citedOpen Access
How Do Self-Interaction Errors Associated with Stretched Bonds Affect Barrier Height Predictions?
The Journal of Physical Chemistry A·2023· 17 citedOpen Access
Impact of Loading-Dependent Intrinsic Framework Flexibility on Adsorption in UiO-66
The Journal of Physical Chemistry C·2022· 18 cited
Identifying UiO‐67 Metal‐Organic Framework Defects and Binding Sites through Ammonia Adsorption
ChemSusChem·2021· 24 cited
Binding of CO and O on Low-Symmetry Pt Clusters Supported on Amorphous Silica
The Journal of Physical Chemistry C·2021· 6 citedOpen Access
In Situ Nuclear Magnetic Resonance Investigation of Molecular Adsorption and Kinetics in Metal–Organic Framework UiO-66
The Journal of Physical Chemistry Letters·2021· 14 cited
Modeling of Diffusion of Acetone in UiO-66
The Journal of Physical Chemistry C·2020· 34 cited
High Frequency Market Microstructure
CFA Digest·2015· 48 cited
Tensile and Fatigue Properties of Permanent Mold Cast A359‐SICp Aluminum Alloys
2010· 1 cited
Process Simulation of Solidification of Aluminum Reinforced with Thermally Managed Graphite Rod
2010

Frequent Co-authors

J. Karl Johnson(11), Koblar Alan Jackson(4), Jonathan P. Ruffley(3), Xin Wei(3), Jacob J. Wardzala(2), Mattheus De Souza(2), Prasenjit Das(2), Christopher J. Karwacki(2), Christopher E. Wilmer(2), Eric Borguet(2), Nathaniel L. Rosi(2), Tunna Baruah(2), Rajendra R. Zope(2), Chinmay V. Mhatre(2), Rohan Maniar(2), John P. Perdew(2), Pradeep K. Rohatgi(2), Isabella Goodenough(1), Allie M. Schmidt(1), Abhishek Bagusetty(1)