Bharat Medasani - Publications, H-index & Citations

Bharat Medasani

Princeton University

18H指数

129论文数

1.8K被引数

收录论文 17

发表时间

Large Rashba spin splittings in bulk and monolayer of BiAs

PHYSICAL REVIEW MATERIALS

IF3.4

2024-05-20

PREAI

Zubair, Muhammad; Evangelista, Igor; Khalid, Shoaib; Medasani, Bharat; Janotti, Anderson

OpenMKM: An Open-Source C plus plus Multiscale Modeling Simulator for Homogeneous and Heterogeneous Catalytic Reactions

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2023-05-17

PREAI

Medasani, Bharat; Kasiraju, Sashank; Vlachos, Dionisios G. G.

Predicting band gaps and band-edge positions of oxide perovskites using density functional theory and machine learning

PHYSICAL REVIEW B

IF3.7

2022-10-28

OAAI

Li, Wei; Wang, Zigeng; Xiao, Xia; Zhang, Zhiqiang; Janotti, Anderson; Rajasekaran, Sanguthevar; Medasani, Bharat

Temperature Dependence of Self-Diffusion in Cr2O3 from First Principles

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2019-08-26

OAAI

Medasani, Bharat K.; Sushko, Maria L.; Rosso, Kevin M.; Schreiber, Daniel K.; Bruemmer, Stephen M.

Insight into Fluorocarbon Adsorption in Metal-Organic Frameworks via Experiments and Molecular Simulations

SCIENTIFIC REPORTS

IF3.9

2019-07-16

OAAI

Barpaga, Dushyant; Nguyen, Van T.; Medasani, Bharat K.; Chatterjee, Sayandev; McGrail, B. Peter; Motkuri, Radha Kishan; Dang, Liem X.

On the fast kinetics of B2-L21 ordering in Ni-Co-Mn-In metamagnetic shape memory alloys

JOURNAL OF ALLOYS AND COMPOUNDS

IF6.3

2019-04-01

OAAI

Wang, Yuhao; Salas, Daniel; Duong, Thien C.; Medasani, Bharat; Talapatra, Anjana; Ren, Yang; Chumlyakov, Yuriy I.; Karaman, Ibrahim; Arroyave, Raymundo

First-Principles Investigation of Native Interstitial Diffusion in Cr2O3

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2018-05-23

PREAI

Medasani, Bharat; Sushko, Maria L.; Rosso, Kevin M.; Schreiber, Daniel K.; Bruemmer, Stephen M.

PyCDT: A Python toolkit for modeling point defects in semiconductors and insulators PyCDT: 用于对半导体和绝缘体中的点缺陷进行建模的Python工具包

COMPUTER PHYSICS COMMUNICATIONS

IF3.4

2018-05-01

161

OAAI

Broberg, Danny; Medasani, Bharat; Zimmermann, Nils E. R.; Yu, Guodong; Canning, Andrew; Haranczyk, Maciej; Asta, Mark; Hautier, Geoffroy

Early stage structural development of prototypical zeolitic imidazolate framework (ZIF) in solution

NANOSCALE

IF5.1

2018-01-01

OAAI

Terban, Maxwell W.; Banerjee, Debasis; Ghose, Sanjit; Medasani, Bharat; Shukla, Anil; Legg, Benjamin A.; Zhou, Yufan; Zhu, Zihua; Sushko, Maria L.; De Yoreo, James J.; Liu, Jun; Thallapally, Praveen K.; Billinge, Simon J. L.

Vacancies and Vacancy-Mediated Self Diffusion in Cr2O3: A First-Principles Study

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2017-01-12

PREAI

Medasani, Bharat; Sushko, Maria L.; Rosso, Kevin M.; Schreiber, Daniel K.; Bruemmer, Stephen M.

Predicting defect behavior in B2 intermetallics by merging ab initio modeling and machine learning 通过从头建模和机器学习相结合来预测B2金属间化合物中的缺陷行为

NPJ COMPUTATIONAL MATERIALS

IF11.9

2016-12-09

OAAI

Medasani, Bharat; Gamst, Anthony; Ding, Hong; Chen, Wei; Persson, Kristin A.; Asta, Mark; Canning, Andrew; Haranczyk, Maciej