Publications by authors named "JR Chelikowsky"

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E
Efficient Full-Frequency GW Calculations Using a Lanczos Method.
Weiwei Gao, Zhao Tang, Jijun Zhao, James R Chelikowsky

Phys Rev Lett· March 2024

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Anisotropy and isotope effect in superconducting solid hydrogen.
Mehmet Dogan, James R Chelikowsky, Marvin L Cohen

J Phys Condens Matter· October 2023

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Real-space solution to the electronic structure problem for nearly a million electrons.
Mehmet Dogan, Kai-Hsin Liou, James R Chelikowsky

J Chem Phys· June 2023

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Observation of electron orbital signatures of single atoms within metal-phthalocyanines using atomic force microscopy.
Pengcheng Chen, Dingxin Fan, Annabella Selloni, Emily A Carter, Craig B Arnold, James R Chelikowsky

Nat Commun· March 2023

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Accelerating the discovery of novel magnetic materials using machine learning-guided adaptive feedback.
Weiyi Xia, Masahiro Sakurai, Balamurugan Balasubramanian, Timothy Liao, Renhai Wang, James R Chelikowsky

Proc Natl Acad Sci U S A· November 2022

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Atomic Fingerprinting of Heteroatoms Using Noncontact Atomic Force Microscopy.
Dingxin Fan, James R Chelikowsky

Small· December 2021

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Breaking a dative bond with mechanical forces.
Pengcheng Chen, Dingxin Fan, Yunlong Zhang, Annabella Selloni, Emily A Carter, James R Chelikowsky

Nat Commun· September 2021

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Space-Filling Curves for Real-Space Electronic Structure Calculations.
Kai-Hsin Liou, Ariel Biller, Leeor Kronik, James R Chelikowsky

J Chem Theory Comput· July 2021

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Correction to "Discrimination of Bond Order in Organic Molecules Using Noncontact Atomic Force Microscopy".
Dingxin Fan, Yuki Sakai, James R Chelikowsky

Nano Lett· June 2021

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Prediction of Intrinsic Ferroelectricity and Large Piezoelectricity in Monolayer Arsenic Chalcogenides.
Weiwei Gao, James R Chelikowsky

Nano Lett· November 2020

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Accelerating Time-Dependent Density Functional Theory and GW Calculations for Molecules and Nanoclusters with Symmetry Adapted Interpolative Separable Density Fitting.
Weiwei Gao, James R Chelikowsky

J Chem Theory Comput· April 2020

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Optically Driven Magnetic Phase Transition of Monolayer RuCl.
Yingzhen Tian, Weiwei Gao, Erik A Henriksen, James R Chelikowsky, Li Yang

Nano Lett· November 2019

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Real-Space Based Benchmark of GW Calculations on GW100: Effects of Semicore Orbitals and Orbital Reordering.
Weiwei Gao, James R Chelikowsky

J Chem Theory Comput· October 2019

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Discrimination of Bond Order in Organic Molecules Using Noncontact Atomic Force Microscopy.
Dingxin Fan, Yuki Sakai, James R Chelikowsky

Nano Lett· August 2019

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Accuracy of Partial Core Corrections Using Fourier Transforms in Pseudopotential-Density Functional Theory.
Weiwei Gao, James R Chelikowsky

J Chem Theory Comput· December 2018

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The stability, electronic structure, and optical absorption of boron-nitride diamondoids predicted with first-principles calculations.
Weiwei Gao, Linda Hung, Serdar Ogut, James R Chelikowsky

Phys Chem Chem Phys· July 2018

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Orientation dependence of the work function for metal nanocrystals.
Lingyuan Gao, Jaime Souto-Casares, James R Chelikowsky, Alexander A Demkov

J Chem Phys· December 2017

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Atomically precise graphene nanoribbon heterojunctions from a single molecular precursor.
Giang D Nguyen, Hsin-Zon Tsai, Arash A Omrani, Tomas Marangoni, Meng Wu, James R Chelikowsky

Nat Nanotechnol· November 2017

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Real-space pseudopotential method for computing the vibrational Stark effect.
Benjamin F Garrett, Ido Azuri, Leeor Kronik, James R Chelikowsky

J Chem Phys· November 2016

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First-Principles Atomic Force Microscopy Image Simulations with Density Embedding Theory.
Yuki Sakai, Alex J Lee, James R Chelikowsky

Nano Lett· May 2016

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Real-space pseudopotential study of vibrational properties and Raman spectra in Si-Ge core-shell nanocrystals.
N Scott Bobbitt, James R Chelikowsky

J Chem Phys· March 2016

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High order forces and nonlocal operators in a Kohn-Sham Hamiltonian.
N Scott Bobbitt, Grady Schofield, Charles Lena, James R Chelikowsky

Phys Chem Chem Phys· December 2015

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A first-principles study of the electronic and structural properties of Sb and F doped SnO2 nanocrystals.
Minjung Kim, Noa Marom, N Scott Bobbitt, James R Chelikowsky

J Chem Phys· January 2015

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Interaction range of P-dopants in Si[110] nanowires: determining the nondegenerate limit.
Tzu-Liang Chan, Alex J Lee, Alex W K Mok, James R Chelikowsky

Nano Lett· November 2014

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Size Effects in the Interface Level Alignment of Dye-Sensitized TiO2 Clusters.
Noa Marom, Thomas Körzdörfer, Xinguo Ren, Alexandre Tkatchenko, James R Chelikowsky

J Phys Chem Lett· July 2014

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