James R. Chelikowsky

The University of Texas at Austin — United States

Physics and Astronomy · Physical Sciences

80h-index24.9kcitations655works1.42yr avg
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Research Topics

Advanced Chemical Physics Studies(155), Surface and Thin Film Phenomena(71), Quantum Dots Synthesis And Properties(66), High-pressure geophysics and materials(65), Semiconductor materials and interfaces(65)

Publications655 total

Topological and chiral phonons in two-dimensional transitional metal monocarbide monolayers
Applied Physics Letters·2026
Structure and magnetism of metastable Fe <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si15.svg" display="inline" id="d1e656"> <mml:msub> <mml:mrow/> <mml:mrow> <mml:mn>8</mml:mn> </mml:mrow> </mml:msub> </mml:math> Co <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si15.svg" display="inline" id="d1e664"> <mml:msub> <mml:mrow/> <mml:mrow> <mml:mn>8</mml:mn> </mml:mrow> </mml:msub> </mml:math> N <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si17.svg" display="inline" id="d1e672"> <mml:msub> <mml:mrow/> <mml:mrow> <mml:mn>2</mml:mn> </mml:mrow> </mml:msub> </mml:math> compound
Journal of Magnetism and Magnetic Materials·2026
Accelerated discovery and design of Fe-Co-Zr magnets with tunable magnetic anisotropy through machine learning and parallel computing
Physical Review Materials·2026
supplemental materials
AIP Publishing·2026Open Access
supplemental materials
AIP Publishing·2026Open Access
AI-Driven and Quantum-Informed Searches for Rare-Earth Free Magnets: Applications to Fe-Co-X (X=B, C, P, Si, S) Compounds
SSRN Electronic Journal·2026Open Access
Real space simulation for state-resolved high-resolution atomic force microscopy of defects in monolayer h-BN
Physical Review Materials·2025· 1 cited
Accelerated discovery and design of Fe-Co-Zr magnets with tunable magnetic anisotropy through machine learning and parallel computing
arXiv (Cornell University)·2025Open Access
Role of doping in probe microscopies for the Si(111) <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mn>7</mml:mn><mml:mo>×</mml:mo><mml:mn>7</mml:mn></mml:mrow></mml:math> surface
Physical Review Research·2025· 3 citedOpen Access
Structure and Magnetism of Metastable Fe8Co8N2 Compound
SSRN Electronic Journal·2025Open Access
Machine learning assisted search for Fe–Co–C ternary compounds with high magnetic anisotropy
APL Machine Learning·2024· 4 citedOpen Access
Machine learning-accelerated discovery of iron cobalt phosphides as rare-earth-free magnets
Physical Review Materials·2024· 2 citedOpen Access
Efficient Full-Frequency GW Calculations Using a Lanczos Method
Physical Review Letters·2024· 9 citedOpen Access
Pressure-induced superconductivity in a novel germanium allotrope
Materials Today Physics·2024· 1 citedOpen Access
Efficient Full-frequency GW Calculations using a Lanczos Method
arXiv (Cornell University)·2023Open Access
Anisotropy and isotope effect in superconducting solid hydrogen
Journal of Physics Condensed Matter·2023· 4 citedOpen Access
Roadmap on electronic structure codes in the exascale era
Modelling and Simulation in Materials Science and Engineering·2023· 68 citedOpen Access
Individual Iron and Cobalt Atoms Identification using Atomic Force Microscopy
Microscopy and Microanalysis·2023· 1 citedOpen Access
Real-space solution to the electronic structure problem for nearly a million electrons
The Journal of Chemical Physics·2023· 11 citedOpen Access
Solving the electronic structure problem for over 100 000 atoms in real space
Physical Review Materials·2023· 8 citedOpen Access
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Frequent Co-authors

Marvin L. Cohen(12), Steven G. Louie(9), Yousef Saad(7), Serdar Öğüt(5), Murilo L. Tiago(5), Igor Vasiliev(5), Manish Jain(4), Michael Schlüter(3), Leeor Kronik(3), N. Binggeli(3), N. Troullier(2), Xiangyang Huang(2), Nitin R. Keskar(2), Noa Marom(2), Yunkai Zhou(2), Gustavo M. Dalpian(1), Kesheng Wu(1), Keith M. Glassford(1), Adi Makmal(1), M. M. G. Alemany(1)