Priyanka B. Shukla - Publications, H-index & Citations

Priyanka B. Shukla

university of pittsburgh

7H指数

16论文数

182被引数

收录论文 8

发表时间

Assessing Self-Interaction Corrections in the Selective Catalytic Reduction of NO on a Cu-SSZ-13 Zeolite Cluster Model 评估NO选择性催化还原中Cu-SSZ-13沸石团簇模型的自我相互作用校正

Journal of Physical Chemistry A

IF2.8

2026-07-30

PREAI

Priyanka B. Shukla; Selim Romero; Tunna Baruah; Rajendra R. Zope; Koblar A. Jackson; J. Karl Johnson

Atomic ionization: sd energy imbalance and Perdew-Zunger self-interaction correction energy penalty in 3d atoms 原子电离：3d原子中的sd能量不平衡和Perdew-Zunger自相互作用校正能量惩罚

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

IF9.1

2025-03-07

OAAI

Maniar, Rohan; Shukla, Priyanka B.; Johnson, J. Karl; Jackson, Koblar A.; Perdew, John P.

Use of FLOSIC for understanding anion-solvent interactions

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2023-10-20

OAAI

Pederson, Mark R.; Withanage, Kushantha P. K.; Hooshmand, Zahra; Johnson, Alex I.; Baruah, Tunna; Yamamoto, Yoh; Zope, Rajendra R.; Kao, Der-You; Shukla, Priyanka B.; Johnson, J. Karl; Peralta, Juan E.; Jackson, Koblar A.

Calculation of Self, Corrected, and Transport Diffusivities of Isopropyl Alcohol in UiO-66 UiO-66中异丙醇的自扩散率，校正和传输扩散率的计算

NANOMATERIALS

IF4.3

2023-06-02

OAAI

Mhatre, Chinmay V. V.; Wardzala, Jacob J. J.; Shukla, Priyanka B. B.; Agrawal, Mayank; Johnson, J. Karl

Identifying UiO-67 Metal-Organic Framework Defects and Binding Sites through Ammonia Adsorption 通过氨吸附识别UiO-67金属-有机骨架缺陷和结合位点

CHEMSUSCHEM

IF6.6

2021-12-02

PREAI

Swaroopa Datta Devulapalli, Venkata; McDonnell, Ryan P.; Ruffley, Jonathan P.; Shukla, Priyanka B.; Luo, Tian-Yi; De Souza, Mattheus L.; Das, Prasenjit; Rosi, Nathaniel L.; Karl Johnson, J.; Borguet, Eric

Binding of CO and O on Low-Symmetry Pt Clusters Supported on Amorphous Silica

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2021-06-21

PREAI

Li, Lin; Ewing, Christopher S.; Abdelgaid, Mona; Banerjee, Sudesna; Garza, Richard B.; Hacku, Robert; Hess, Nathan D.; Hong, Sungil; Islamov, Meiirbek; Luciani, Lauren L.; Papadopoulos, Stefanos; Parker, Christopher; Patel, Riddhesh A.; Pawar, Ritesh; Poklar, Miranda H.; Salem, Maya; Shabnam, Fathima; Shukla, Priyanka B.; Vena, Sai K.; Wang, Huiran; Wang, Rui; Wei, Xin; Yang, Fan; Johnson, J. Karl

Modeling of Diffusion of Acetone in UiO-66

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2020-12-17

PREAI

Wardzala, Jacob J.; Ruffley, Jonathan P.; Goodenough, Isabella; Schmidt, Allie M.; Shukla, Priyanka B.; Wei, Xin; Bagusetty, Abhishek; De Souza, Mattheus; Das, Prasenjit; Thompson, Dorian J.; Karwacki, Christopher J.; Wilmer, Christopher E.; Borguet, Eric; Rosi, Nathaniel L.; Johnson, J. Karl

Reactive Active Learning: An Efficient Approach for Training Machine Learning Interatomic Potentials for Reacting Systems 反应性主动学习：一种用于训练机器学习反应系统原子间势能的高效方法

Journal of Chemical Theory and Computation

IF5.5

OAAI

Siddarth K. Achar; Priyanka B. Shukla; Chinmay V. Mhatre; Leonardo Bernasconi; Caitlyn Y. Vinger; J. Karl Johnson

研究方向