Asim Najibi

University of Melbourne — Australia

Materials Science · Physical Sciences

6h-index2.3kcitations10works0.02yr avg
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Research Topics

Machine Learning in Materials Science(6), Advanced Chemical Physics Studies(5), Computational Drug Discovery Methods(4), Chemical Synthesis and Analysis(4), Spectroscopy and Laser Applications(2)

Publications10 total

Analysis of Recent BLYP- and PBE-Based Range-Separated Double-Hybrid Density Functional Approximations for Main-Group Thermochemistry, Kinetics, and Noncovalent Interactions
The Journal of Physical Chemistry A·2021· 46 cited
An Analysis of Recent BLYP and PBE-Based Range-Separated Double-Hybrid Density Functional Approximations for Main-Group Thermochemistry, Kinetics and Noncovalent Interactions
2021· 11 citedOpen Access
An Analysis of Recent BLYP and PBE-Based Range-Separated Double-Hybrid Density Functional Approximations for Main-Group Thermochemistry, Kinetics and Noncovalent Interactions
2021Open Access
DFT <scp>‐D4</scp> counterparts of leading <scp>meta‐</scp> generalized‐gradient approximation and hybrid density functionals for energetics and geometries
Journal of Computational Chemistry·2020· 147 citedOpen Access
DFT-D4 Counterparts of Leading Meta-GGA and Hybrid Density Functionals for Energetics and Geometries
2020Open Access
DFT-D4 Counterparts of Leading Meta-GGA and Hybrid Density Functionals for Energetics and Geometries
2020Open Access
DFT-D4 Counterparts of Leading Meta-GGA and Hybrid Density Functionals for Energetics and Geometries
2020Open Access
The Nonlocal Kernel in van der Waals Density Functionals as an Additive Correction: An Extensive Analysis with Special Emphasis on the B97M-V and ωB97M-V Approaches
Journal of Chemical Theory and Computation·2018· 285 cited
A Comprehensive Assessment of the Effectiveness of Orbital Optimization in Double-Hybrid Density Functionals in the Treatment of Thermochemistry, Kinetics, and Noncovalent Interactions
The Journal of Physical Chemistry A·2018· 25 citedOpen Access
A look at the density functional theory zoo with the advanced GMTKN55 database for general main group thermochemistry, kinetics and noncovalent interactions
Physical Chemistry Chemical Physics·2017· 1.8k citedOpen Access

Frequent Co-authors

Lars Goerigk(10), Marcos Casanova‐Páez(3), Andreas Hansen(1), Christoph Bauer(1), Stephan Ehrlich(1), Stefan Grimme(1)