Koblar Alan Jackson

Central Michigan University — United States

Physics and Astronomy · Physical Sciences

41h-index44.2kcitations296works1.32yr avg
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Research Topics

Advanced Chemical Physics Studies(108), Machine Learning in Materials Science(29), Semiconductor materials and interfaces(28), Phase-change materials and chalcogenides(25), Diamond and Carbon-based Materials Research(23)

Publications296 total

Local Spin Density Approximation Strongly Improved by a Better-Informed Local Scaling of its Self-Interaction Correction
2026Open Access
Noniterative Fermi–Löwdin Orbitals for Self-Interaction Correction
The Journal of Physical Chemistry A·2026Open Access
The rise and fall of stretched bond errors: Extending the analysis of Perdew-Zunger self-interaction corrections of reaction barrier heights beyond the LSDA
arXiv (Cornell University)·2026Open Access
Universal approach for determining multi-dimensional anharmonic vibrations from electronic quantum methods
APL Computational Physics·2025Open Access
Editorial: DCOMP's 2025 Rahman and Metropolis Awards
Physical review. E·2025Open Access
Universal Approach for Determining Multi-Dimensional Anharmonic Vibrations from Electronic Quantum Methods
ArXiv.org·2025Open Access
The electron localization function and the chemical interpretation of Fermi orbital descriptors in Fermi–Löwdin self-interaction correction calculations
The Journal of Chemical Physics·2025· 3 cited
Atomic ionization: sd energy imbalance and Perdew–Zunger self-interaction correction energy penalty in 3d atoms
Proceedings of the National Academy of Sciences·2025· 2 citedOpen Access
Electronic structure simulations in the cloud computing environment
The Journal of Chemical Physics·2024· 6 citedOpen Access
Atomic Ionization: sd energy imbalance and Perdew-Zunger self-interaction correction energy penalty in 3d atoms
arXiv (Cornell University)·2024Open Access
Hyperfine interactions for small systems including transition-metal elements using self-interaction corrected density-functional theory
The Journal of Chemical Physics·2024
The rise and fall of stretched bond errors: Extending the analysis of Perdew–Zunger self-interaction corrections of reaction barrier heights beyond the LSDA
The Journal of Chemical Physics·2024· 2 citedOpen Access
Bond length alternation of <i>π</i>-conjugated polymers predicted by the Fermi–Löwdin orbital self-interaction correction method
The Journal of Chemical Physics·2024· 4 cited
Use of FLOSIC for understanding anion-solvent interactions
The Journal of Chemical Physics·2023· 8 citedOpen Access
How Do Self-Interaction Errors Associated with Stretched Bonds Affect Barrier Height Predictions?
The Journal of Physical Chemistry A·2023· 17 citedOpen Access
Downward quantum learning from element 118: Automated generation of Fermi–Löwdin orbitals for all atoms
The Journal of Chemical Physics·2023· 7 citedOpen Access
Spin-crossover complexes: Self-interaction correction vs density correction
The Journal of Chemical Physics·2023· 11 citedOpen Access
Complex Fermi–Löwdin orbital self-interaction correction
The Journal of Chemical Physics·2022· 8 citedOpen Access
Fermi–Löwdin orbital self-interaction correction of adsorption energies on transition metal ions
The Journal of Chemical Physics·2022· 4 citedOpen Access
Study of self-interaction-errors in barrier heights using locally scaled and Perdew–Zunger self-interaction methods
The Journal of Chemical Physics·2021· 20 citedOpen Access
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Frequent Co-authors

Mark R. Pederson(18), Thomas Frauenheim(10), Mingli Yang(8), Mihai Horoi(6), Julius Jellinek(6), D. Porezag(5), John P. Perdew(4), P. Boolchand(4), Daniel G. Georgiev(4), Rajendra R. Zope(4), Tunna Baruah(4), Petia Bobadova‐Parvanova(4), Sudha Srinivas(4), Alexandre A. Shvartsburg(3), Efthimios Kaxiras(3), M. Micoulaut(3), Juan E. Peralta(3), Z. Hajnal(3), Yoh Yamamoto(3), J. A. Chevary(2)