Skip to content

Home Search Authors Pakistan News Saved

SciRah

SciRah does not host or store research papers. Results come live from free, official scholarly APIs, and every paper links back to its original source.

Data sources

OpenAlex
Semantic Scholar
Crossref
CORE
arXiv
PubMed

Privacy policy Terms of service

J. Chelikowsky · SciRah

Researcher profile · Semantic Scholar

J. Chelikowsky

Share profile

J. Chelikowsky — researcher profile on SciRah

h-index: 66
Works: 609
Citations: 18K

Most-cited papers

Atomically precise graphene nanoribbon heterojunctions from a single molecular precursor.
G. Nguyen, H. Tsai, A. A. Omrani, T. Marangoni +12 more
2017Nature Nanotechnology181 citations Open access
Semantic Scholar
Optically Driven Magnetic Phase Transition of Monolayer RuCl3.
Yingzhen Tian, Weiwei Gao, E. Henriksen, J. Chelikowsky +1 more
2019Nano letters (Print)62 citations Open access
Semantic Scholar
Accelerating the discovery of novel magnetic materials using machine learning–guided adaptive feedback
Wei-Yi Xia, M. Sakurai, B. Balasubramanian, Timothy Liao +7 more
2022Proceedings of the National Academy of Sciences of the United States of America61 citations Open access
Semantic Scholar
Roadmap on electronic structure codes in the exascale era
V. Gavini, S. Baroni, V. Blum, D. Bowler +37 more
2022Modelling and Simulation in Materials Science and Engineering56 citations Open access
Semantic Scholar
Prediction of Intrinsic Ferroelectricity and Large Piezoelectricity in Monolayer Arsenic Chalcogenides.
Weiwei Gao, J. Chelikowsky
2020Nano letters (Print)39 citations Open access
Semantic Scholar
Breaking a dative bond with mechanical forces
Peng-Cheng Chen, Dingxin Fan, Yun-Long Zhang, A. Selloni +6 more
2021Nature Communications35 citations Open access
Semantic Scholar
Accelerating time-dependent density functional theory and GW calculations for molecules and nanoclusters with symmetry adapted interpolative separable density fitting.
Weiwei Gao, J. Chelikowsky
2020Journal of Chemical Theory and Computation31 citations Open access
Semantic Scholar
Discovering rare-earth-free magnetic materials through the development of a database
M. Sakurai, Ren-Hai Wang, Timothy Liao, Chao Zhang +13 more
2020PHYSICAL REVIEW MATERIALS30 citations
Semantic Scholar
Formation enthalpies for transition metal alloys using machine learning
Shashanka Ubaru, A. Miedlar, Y. Saad, J. Chelikowsky
201728 citations Open access
Semantic Scholar
Orientation dependence of the work function for metal nanocrystals.
Ling-Yuan Gao, Jaime Souto-Casares, J. Chelikowsky, A. Demkov
2017Journal of Chemical Physics25 citations
Semantic Scholar
Scalable implementation of polynomial filtering for density functional theory calculation in PARSEC
Kai-Hsin Liou, Chao Yang, J. Chelikowsky
2020Computer Physics Communications21 citations Open access
Semantic Scholar
A real-space based benchmark of G0W0 calculations on GW100: effects of semi-core orbitals and orbital reordering.
Weiwei Gao, J. Chelikowsky
2019Journal of Chemical Theory and Computation19 citations
Semantic Scholar
Magnetism in amorphous carbon
Y. Sakai, J. Chelikowsky, M. Cohen
2018PHYSICAL REVIEW MATERIALS19 citations Open access
Semantic Scholar
Simulating the effect of boron doping in superconducting carbon
Y. Sakai, J. Chelikowsky, M. Cohen
201719 citations Open access
Semantic Scholar
Observation of electron orbital signatures of single atoms within metal-phthalocyanines using atomic force microscopy
Peng-Cheng Chen, Dingxin Fan, A. Selloni, E. Carter +5 more
2023Nature Communications18 citations Open access
Semantic Scholar
Insulating titanium oxynitride for visible light photocatalysis
Yuta Aoki, M. Sakurai, Sinisa Coh, J. Chelikowsky +3 more
2017Physical review B17 citations Open access
Semantic Scholar
Space-Filling Curves for Real-Space Electronic Structure Calculations.
Kai-Hsin Liou, A. Biller, L. Kronik, J. Chelikowsky
2021Journal of Chemical Theory and Computation15 citations
Semantic Scholar
Real-space solution to the electronic structure problem for nearly a million electrons.
M. Doğan, Kai-Hsin Liou, J. Chelikowsky
2023Journal of Chemical Physics14 citations
Semantic Scholar
Magnetic iron-cobalt silicides discovered using machine-learning
Timothy Liao, Wei-Yi Xia, M. Sakurai, Ren-Hai Wang +5 more
2023PHYSICAL REVIEW MATERIALS14 citations
Semantic Scholar
Synergistic computational and experimental discovery of novel magnetic materials
B. Balasubramanian, M. Sakurai, Cai-Zhuang Wang, Xiao-Shan Xu +3 more
2020Molecular Systems Design & Engineering13 citations
Semantic Scholar
Discrimination of Bond Order in Organic Molecules Using Noncontact Atomic Force Microscopy.
Ding-Xin Fan, Y. Sakai, J. Chelikowsky
2019Nano letters (Print)12 citations
Semantic Scholar
Efficient Full-Frequency GW Calculations Using a Lanczos Method.
Wei-Wei Gao, Zhao Tang, Ji-Jun Zhao, J. Chelikowsky
2023Physical Review Letters11 citations Open access
Semantic Scholar
Machine learning assisted search for Fe–Co–C ternary compounds with high magnetic anisotropy
Wei-Yi Xia, Masahiro Sakurai, Timothy Liao, Ren-Hai Wang +5 more
2024APL Machine Learning10 citations Open access
Semantic Scholar
Simulating noncontact atomic force microscopy images
J. Chelikowsky, Ding-Xin Fan, Alex J. Lee, Y. Sakai
201910 citations
Semantic Scholar
Introductory Quantum Mechanics with MATLAB: For Atoms, Molecules, Clusters, and Nanocrystals
J. Chelikowsky
201910 citations
Semantic Scholar
Magnetocrystalline anisotropy in YCo5 and ZrCo5 compounds from first-principles real-space pseudopotentials calculations
M. Sakurai, Shunqing Wu, Xin Zhao, M. C. Nguyen +3 more
2018PHYSICAL REVIEW MATERIALS10 citations
Semantic Scholar
Real-space pseudopotential calculations for simulating noncontact atomic force microscopy images
Ding-Xin Fan, Y. Sakai, J. Chelikowsky
2018Journal of Vacuum Science & Technology B10 citations
Semantic Scholar
Predicting magnetic anisotropy energies using site-specific spin-orbit coupling energies and machine learning: Application to iron-cobalt nitrides
Timothy Liao, Weiyi Xia, M. Sakurai, Ren-Hai Wang +5 more
2022PHYSICAL REVIEW MATERIALS9 citations
Semantic Scholar
Atomic Fingerprinting of Heteroatoms Using Noncontact Atomic Force Microscopy.
Dingxin Fan, J. Chelikowsky
2021Small9 citations Open access
Semantic Scholar
Metastable B-doped FeNi compounds for permanent magnets without rare earths
M. Sakurai, J. Chelikowsky
20209 citations
Semantic Scholar
Simulating contrast inversion in atomic force microscopy imaging with real-space pseudopotentials
Alex J. Lee, Y. Sakai, J. Chelikowsky
20179 citations Open access
Semantic Scholar
Machine learning-accelerated discovery of iron cobalt phosphides as rare-earth-free magnets
Timothy Liao, Wei-Yi Xia, Masahiro Sakurai, Chao Zhang +5 more
2024PHYSICAL REVIEW MATERIALS8 citations Open access
Semantic Scholar
Size dependence of structural stability and magnetization of nickel clusters from real-space pseudopotentials
M. Sakurai, Jaime Souto-Casares, J. Chelikowsky
20168 citations Open access
Semantic Scholar
Solving the electronic structure problem for over 100 000 atoms in real space
M. Doğan, Kai-Hsin Liou, J. Chelikowsky
2023PHYSICAL REVIEW MATERIALS7 citations Open access
Semantic Scholar
Heavy boron doping in superconducting carbon materials
Y. Sakai, J. Chelikowsky, M. Cohen
2020PHYSICAL REVIEW MATERIALS7 citations Open access
Semantic Scholar
Real-space pseudopotential method for calculating magnetocrystalline anisotropy
M. Sakurai, J. Chelikowsky
2018PHYSICAL REVIEW MATERIALS7 citations Open access
Semantic Scholar
Chemical and steric effects in simulating noncontact atomic force microscopy images of organic molecules on a Cu (111) substrate
Ding-Xin Fan, Y. Sakai, J. Chelikowsky
2020PHYSICAL REVIEW MATERIALS6 citations Open access
Semantic Scholar
Influence of nitrogen dopants on the magnetization of Co3N clusters
M. Sakurai, Xin Zhao, Cai-Zhuang Wang, K. Ho +1 more
20186 citations
Semantic Scholar
Anisotropy and isotope effect in superconducting solid hydrogen
M. Doğan, J. Chelikowsky, M. Cohen
2023Journal of Physics: Condensed Matter5 citations Open access
Semantic Scholar
Numerical methods for efficient GW calculations and the applications in low-dimensional systems
Weiwei Gao, Weiyi Xia, Pei-Hong Zhang, J. Chelikowsky +1 more
2022Electronic Structure5 citations
Semantic Scholar
Accelerated discovery and design of Fe-Co-Zr magnets with tunable magnetic anisotropy through machine learning and parallel computing
Wei-Yi Xia, Maxim Moraru, Ying-Wai Li, Timothy Liao +2 more
2025PHYSICAL REVIEW MATERIALS4 citations
Semantic Scholar
Out-of-plane polarization and topological magnetic vortices in multiferroic CrPSe$_3$
Weiwei Gao, Ji-Jun Zhao, J. Chelikowsky
20224 citations
Semantic Scholar
Enhanced magnetic moments in Mn-doped FeCo clusters owing to ferromagnetic surface Mn atoms
M. Sakurai, J. Chelikowsky
2019PHYSICAL REVIEW MATERIALS4 citations Open access
Semantic Scholar
Accuracy of Partial Core Corrections Using Fourier Transforms in Pseudopotential-Density Functional Theory.
Weiwei Gao, J. Chelikowsky
2018Journal of Chemical Theory and Computation4 citations Open access
Semantic Scholar
Quasiparticle energies and dielectric functions of diamond polytypes
M. Sakurai, J. Chelikowsky, S. Louie, S. Saito
20174 citations Open access
Semantic Scholar
First-principles calculations of Raman spectra in Li-doped Si nanocrystals
N. S. Bobbitt, J. Chelikowsky
20164 citations Open access
Semantic Scholar
AI-driven and quantum-informed searches for rare-earth free magnets: Applications to Fe–Co–X (X=B, C, P, Si, S) compounds
J. Chelikowsky, Cai-Zhuang Wang, Timothy Liao, Zhao Tang +2 more
2026Journal of Magnetism and Magnetic Materials3 citations Open access
Semantic Scholar
Decoding atomic landscapes: Integrating electronic structure theory and high-resolution atomic force microscopy.
Dingxin Fan, Yu-Kun Zhang, Zhao Tang, J. Chelikowsky +1 more
2026Journal of Chemical Physics3 citations
Semantic Scholar
Topological and chiral phonons in two-dimensional transitional metal monocarbide monolayers
Yuanyuan Zhao, Jianhua Wang, Wei-Wei Gao, Hong-Sheng Liu +5 more
2026Applied Physics Letters3 citations
Semantic Scholar
Topology and compact molecular orbitals in twisted bilayer WSe$_2$
Chen-Yuan Li, R. Dutta, Fang Xie, J. Chelikowsky +3 more
20262 citations
Semantic Scholar

Frequent co-authors

Invite them to SciRah by sharing their profile.

M. Sakurai×13
Invite
M. Sakurai — researcher profile on SciRah
Y. Sakai×9
Invite
Y. Sakai — researcher profile on SciRah
Timothy Liao×8
Invite
Timothy Liao — researcher profile on SciRah
Weiwei Gao×7
Invite
Weiwei Gao — researcher profile on SciRah

×7

Invite

K. Ho — researcher profile on SciRah

Cai-Zhuang Wang×7

Invite

Cai-Zhuang Wang — researcher profile on SciRah

Invite

Wei-Yi Xia — researcher profile on SciRah

Ren-Hai Wang×6

Invite

Ren-Hai Wang — researcher profile on SciRah

Invite

Chao Zhang — researcher profile on SciRah

Kai-Hsin Liou×5

Invite

Kai-Hsin Liou — researcher profile on SciRah

Invite

M. Cohen — researcher profile on SciRah

Huai-Jun Sun×4

Invite

Huai-Jun Sun — researcher profile on SciRah