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Articles by
Manish Kothakonda
Discovering Ni/Cu Single Atom Alloy as a Highly Active and Selective Catalyst for Direct Methane Conversion to Ethylene: A First-Principles Kinetic Study
6 days ago by
Manish Kothakonda
and
others
at
Northeastern University
Theoretical and Computational Chemistry
,
Catalysis
Graphene-Based Single-Atom Catalysts for Electrochemical CO2 Reduction: Unraveling the Roles of Metals and Dopants in Tuning Activity
22 October 2024 by
Colin Gallagher
and
others
at
Northeastern University
Theoretical and Computational Chemistry
,
Catalysis
Towards chemical accuracy for chemi- and physisorption with an efficient density functional
15 October 2024 by
Manish Kothakonda
and
others
Materials Science
,
Chemical Physics
High-throughput screening assisted discovery of a stable layered anti-ferromagnetic semiconductor: CdFeP2Se6
18 December 2022 by
Manish Kothakonda
and
others
Materials Science
Testing the r
^2
SCAN density functional for the thermodynamic stability of solids with and without a van der Waals correction
4 August 2022 by
Manish Kothakonda
and
others
Materials Science
,
Chemical Physics
Workhorse minimally-empirical dispersion-corrected density functional, with tests for weakly-bound systems: r
^{2}
SCAN+rVV10
24 July 2022 by
Jinliang Ning
and
others
Materials Science
,
Soft Condensed Matter
Ferromagnetic MnBi4Te7 obtained with low concentration Sb doping: A promising platform for exploring topological quantum states
5 May 2022 by
Y. Guan
and
others
Materials Science
