Concepedia

Akash Bajaj

AB

Statistics

Publications

8

Citations

214

H-Index

8

Active since

2017

Affiliations

Massachusetts Institute of Technology(Current)

Akash Bajaj is an author at Massachusetts Institute of Technology specializing in engineering, quantum chemistry, and applied physics.

ORCID

Top concepts

Publications per year

2017–2024

8

Publications

8

Communication: Recovering the flat-plane condition in electronic structure theory at semi-local DFT cost

Akash Bajaj, Jon Paul Janet, Heather J. Kulik · The Journal of Chemical Physics · 2017 · 62 citations · Full text

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Bridging the Homogeneous-Heterogeneous Divide: Modeling Spin for Reactivity in Single Atom Catalysis

Fang Liu, Tzuhsiung Yang, Jing Yang et al. · Frontiers in Chemistry · 2019 · 56 citations · Full text

Polymorphs of two dimensional phosphorus and arsenic: insight from an evolutionary search

Suhas Nahas, Akash Bajaj, Somnath Bhowmick · Physical Chemistry Chemical Physics · 2017 · 28 citations

Non-empirical, low-cost recovery of exact conditions with model-Hamiltonian inspired expressions in jmDFT

Akash Bajaj, Fang Liu, Heather J. Kulik · The Journal of Chemical Physics · 2019 · 20 citations · Full text

Eliminating Delocalization Error to Improve Heterogeneous Catalysis Predictions with Molecular DFT + <i>U</i>

Akash Bajaj, Heather J. Kulik · Journal of Chemical Theory and Computation · 2022 · 17 citations · Full text

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