Akash Bajaj

Akash Bajaj

Trinity College Dublin - Dublin / Ireland
Engineering & Technology / Metallurgical & Materials Engineering
AD Scientific Index ID: 5057050
Coláiste na Tríonóide, Baile Átha Cliath, Ollscoil Bhaile Átha Cliath
person_outline Akash Bajaj's MOST POPULAR ARTICLES
1-) Communication: Recovering the flat-plane condition in electronic structure theory at semi-local DFT costA Bajaj, JP Janet, HJ KulikThe Journal of Chemical Physics 147 (19), 2017452017
2-) Bridging the homogeneous-heterogeneous divide: modeling spin for reactivity in single atom catalysisF Liu, T Yang, J Yang, E Xu, A Bajaj, HJ KulikFrontiers in chemistry 7, 219, 2019422019
3-) Polymorphs of two dimensional phosphorus and arsenic: insight from an evolutionary search S Nahas, A Bajaj, S Bhowmick Physical Chemistry Chemical Physics 19 (18), 11282-11288, 2017 222017
4-) Non-empirical, low-cost recovery of exact conditions with model-Hamiltonian inspired expressions in jmDFTA Bajaj, F Liu, HJ KulikThe Journal of Chemical Physics 150 (15), 2019212019
5-) Molecular DFT+ U: a transferable, low-cost approach to eliminate delocalization errorA Bajaj, HJ KulikThe Journal of Physical Chemistry Letters 12 (14), 3633-3640, 2021132021