Chelikowsky, James R

Publication with MATCHING institution:

Fan D, Chelikowsky JR (2021) Atomic Fingerprinting of Heteroatoms Using Noncontact Atomic Force Microscopy. Small.
[IF=1.749, Cited=1, 34596948].
Gao W, Chelikowsky JR (2019) Real-Space Based Benchmark of G₀W₀ Calculations on GW100: Effects of
Semicore Orbitals and Orbital Reordering. Journal of Chemical Theory and Computation. [IF=1.512, Cited=5, 31424933].
Gao W, Chelikowsky JR (2020) Accelerating Time-Dependent Density Functional Theory and GW Calculations for Molecules and
Nanoclusters with Symmetry Adapted Interpolative Separable Density Fitting. Journal of Chemical Theory and Computation.
[IF=1.512, Cited=1, 32074452].
Gao W, Chelikowsky JR (2020) Prediction of Intrinsic Ferroelectricity and Large Piezoelectricity in Monolayer Arsenic
Chalcogenides. Nano Letters. [IF=1.873, Cited=2, 33135906].
Sakai Y, Lee AJ, Chelikowsky JR (2016) First-Principles Atomic Force Microscopy Image Simulations with Density Embedding
Theory. Nano Letters. [IF=1.873, Cited=5, 27050710].
Marom N, Körzdörfer T, Ren X, ..., Chelikowsky JR (2014) Size Effects in the Interface Level Alignment of Dye-Sensitized
TiO2 Clusters. Journal of Physical Chemistry Letters. [IF=1.158, Cited=4, 26277805].
Nguyen GD, Tsai HZ, Omrani AA, ..., Crommie MF (2017) Atomically precise graphene nanoribbon heterojunctions from a
single molecular precursor. Nature Nanotechnology. [IF=6.001, Cited=33, 28945240].
Bobbitt NS, Schofield G, Lena C, Chelikowsky JR (2015) High order forces and nonlocal operators in a Kohn-Sham
Hamiltonian. Physical Chemistry Chemical Physics. [IF=0.906, Cited=2, 26106967].
Bobbitt NS, Sai N, Marom N, ..., Chelikowsky JR (2014) Real space pseudopotential calculations for size trends in Ga-
and Al-doped zinc oxide nanocrystals with wurtzite and zincblende structures. Journal of Chemical Physics. [IF=1.184,
Cited=3, 25194374].
Kim M, Marom N, Scott Bobbitt N, Chelikowsky JR (2015) A first-principles study of the electronic and structural
properties of Sb and F doped SnO2 nanocrystals. Journal of Chemical Physics. [IF=1.184, Cited=2, 25638000].
Bobbitt NS, Chelikowsky JR (2016) Real-space pseudopotential study of vibrational properties and Raman spectra in Si-Ge
core-shell nanocrystals. Journal of Chemical Physics. [IF=1.184, Cited=1, 27036430].
Garrett BF, Azuri I, Kronik L, Chelikowsky JR (2016) Real-space pseudopotential method for computing the vibrational
Stark effect. Journal of Chemical Physics. [IF=1.184, Cited=0, 27825233].
Xia W, Sakurai M, Balasubramanian B, ..., Wang CZ (2022) Accelerating the discovery of novel magnetic materials using
machine learning-guided adaptive feedback. Proceedings of the National Academy of Sciences of the United States of
America. [IF=2.765, Cited=0, 36375053].
Gao W, Tang Z, Zhao J, Chelikowsky JR (2024) Efficient Full-Frequency GW Calculations Using a Lanczos Method. Physical
Review Letters. [IF=2.288, Cited=0, 38579203].

Publication with MISMATCHING institution:

Liou KH, Biller A, Kronik L, Chelikowsky JR (2021) Space-Filling Curves for Real-Space Electronic Structure
Calculations. Journal of Chemical Theory and Computation. [IF=1.512, Cited=1, 34081448].
Sai N, Gearba R, Dolocan A, ..., Zhu X (2012) Understanding the Interface Dipole of Copper Phthalocyanine (CuPc)/C60:
Theory and Experiment. Journal of Physical Chemistry Letters. [IF=1.158, Cited=12, 26295767].
Dalpian GM, Tiago ML, Lopez del Puerto M, Chelikowsky JR (2006) Symmetry considerations in CdSe nanocrystals. Nano
Letters. [IF=1.873, Cited=5, 16522051].
Norberg NS, Dalpian GM, Chelikowsky JR (2006) Energetic pinning of magnetic impurity levels in quantum-confined
semiconductors. Nano Letters. [IF=1.873, Cited=6, 17163725].
Chan TL, Tiago ML, Kaxiras E, Chelikowsky JR (2007) Size limits on doping phosphorus into silicon nanocrystals. Nano
Letters. [IF=1.873, Cited=22, 18154366].
Chan TL, Lee AJ, Mok AWK, Chelikowsky JR (2014) Interaction range of P-dopants in Si[110] nanowires: determining the
nondegenerate limit. Nano Letters. [IF=1.873, Cited=2, 25343617].
Chan TL, Chelikowsky JR (2010) Controlling diffusion of lithium in silicon nanostructures. Nano Letters. [IF=1.873,
Cited=13, 20121259].
Chen P, Fan D, Zhang Y, ..., Yao N (2021) Breaking a dative bond with mechanical forces. Nature Communications.
[IF=3.268, Cited=2, 34561452].
Chen P, Fan D, Selloni A, ..., Yao N (2023) Observation of electron orbital signatures of single atoms within metal-
phthalocyanines using atomic force microscopy. Nature Communications. [IF=3.268, Cited=1, 36928085].
Gao W, Hung L, Ogut S, Chelikowsky JR (2018) The stability, electronic structure, and optical absorption of boron-
nitride diamondoids predicted with first-principles calculations. Physical Chemistry Chemical Physics. [IF=0.906,
Cited=0, 29978876].
Ko E, Alemany MMG, Chelikowsky JR (2004) Viscosities of liquid CdTe near melting point from ab initio molecular-dynamics
calculations. Journal of Chemical Physics. [IF=1.184, Cited=3, 15260626].
Li S, Alemany MMG, Chelikowsky JR (2004) Ab initio calculations for the photoelectron spectra of vanadium clusters.
Journal of Chemical Physics. [IF=1.184, Cited=5, 15367017].
Ko E, Alemany MMG, Derby JJ, Chelikowsky JR (2005) Ab Initio simulations of nonstoichiometric Cd(x)Te(1-x) liquids.
Journal of Chemical Physics. [IF=1.184, Cited=1, 16164313].
Li S, Alemany MMG, Chelikowsky JR (2006) Real space pseudopotential calculations for copper clusters. Journal of
Chemical Physics. [IF=1.184, Cited=6, 16863354].
Lopez del Puerto M, Tiago ML, Chelikowsky JR (2007) Ab initio calculation of temperature effects in the optical response
of open-shell sodium clusters. Journal of Chemical Physics. [IF=1.184, Cited=2, 17935399].
Han J, Tiago ML, Chan TL, Chelikowsky JR (2008) Real space method for the electronic structure of one-dimensional
periodic systems. Journal of Chemical Physics. [IF=1.184, Cited=6, 19045136].
Moussa JE, Schultz PA, Chelikowsky JR (2012) Analysis of the Heyd-Scuseria-Ernzerhof density functional parameter space.
Journal of Chemical Physics. [IF=1.184, Cited=25, 22667550].
Gao L, Souto-Casares J, Chelikowsky JR, Demkov AA (2017) Orientation dependence of the work function for metal
nanocrystals. Journal of Chemical Physics. [IF=1.184, Cited=1, 29221414].
Dogan M, Liou KH, Chelikowsky JR (2023) Real-space solution to the electronic structure problem for nearly a million
electrons. Journal of Chemical Physics. [IF=1.184, Cited=0, 37366310].
Chelikowsky JR, Zayak AT, Chan TL, ..., Saad Y (2009) Algorithms for the electronic and vibrational properties of
nanocrystals. Journal of Physics Condensed Matter. [IF=0.812, Cited=0, 21715910].
Dogan M, Chelikowsky JR, Cohen ML (2023) Anisotropy and isotope effect in superconducting solid hydrogen. Journal of
Physics Condensed Matter. [IF=0.812, Cited=0, 37751761].
Fan D, Chen P, Chelikowsky JR, Yao N (2023) Individual Iron and Cobalt Atoms Identification using Atomic Force
Microscopy. Microscopy and Microanalysis. [IF=0.414, Cited=0, 37613337].

Publication with MISSING institution:

Marom N, DiStasio RA, Atalla V, ..., Tkatchenko A (2013) Many-body dispersion interactions in molecular crystal
polymorphism. Angewandte Chemie - International Edition. [IF=2.456, Cited=33, 23681762].
Gao W, Chelikowsky JR (2018) Accuracy of Partial Core Corrections Using Fourier Transforms in Pseudopotential-Density
Functional Theory. Journal of Chemical Theory and Computation. [IF=1.512, Cited=0, 30398867].
Fan D, Sakai Y, Chelikowsky JR (2021) Correction to "Discrimination of Bond Order in Organic Molecules Using Noncontact
Atomic Force Microscopy". Nano Letters. [IF=1.873, Cited=0, 34100616].
Fan D, Sakai Y, Chelikowsky JR (2019) Discrimination of Bond Order in Organic Molecules Using Noncontact Atomic Force
Microscopy. Nano Letters. [IF=1.873, Cited=2, 31340648].
Tian Y, Gao W, Henriksen EA, ..., Yang L (2019) Optically Driven Magnetic Phase Transition of Monolayer
RuCl₃. Nano Letters. [IF=1.873, Cited=4, 31637915].
Kronik L, Fromherz R, Ko E, ..., Chelikowsky JR (2002) Highest electron affinity as a predictor of cluster anion
structures. Nature Materials. [IF=6.645, Cited=14, 12618849].
Zhou Y, Saad Y, Tiago ML, Chelikowsky JR (2006) Parallel self-consistent-field calculations via Chebyshev-filtered
subspace acceleration. None. [IF=None, Cited=12, 17280174].
Chan TL, Zayak AT, Dalpian GM, Chelikowsky JR (2009) Role of confinement on diffusion barriers in semiconductor
nanocrystals. Physical Review Letters. [IF=2.288, Cited=6, 19257292].
Chan TL, Wang CZ, Ho KM, Chelikowsky JR (2009) Efficient first-principles simulation of noncontact atomic force
microscopy for structural analysis. Physical Review Letters. [IF=2.288, Cited=2, 19518799].
Khoo KH, Zayak AT, Kwak H, Chelikowsky JR (2010) First-principles study of confinement effects on the Raman spectra of
Si nanocrystals. Physical Review Letters. [IF=2.288, Cited=12, 20867585].
Jain M, Chelikowsky JR, Louie SG (2011) Quasiparticle excitations and charge transition levels of oxygen vacancies in
hafnia. Physical Review Letters. [IF=2.288, Cited=4, 22181908].
Jain M, Chelikowsky JR, Louie SG (2011) Reliability of hybrid functionals in predicting band gaps. Physical Review
Letters. [IF=2.288, Cited=21, 22181911].
Marom N, Kim M, Chelikowsky JR (2012) Structure selection based on high vertical electron affinity for TiO2 clusters.
Physical Review Letters. [IF=2.288, Cited=16, 22463437].
Moussa JE, Marom N, Sai N, Chelikowsky JR (2012) Theoretical design of a shallow donor in diamond by lithium-nitrogen
codoping. Physical Review Letters. [IF=2.288, Cited=1, 23003633].
Vasiliev I, Oğüt S, Chelikowsky JR (2001) Ab initio absorption spectra and optical gaps in nanocrystalline silicon.
Physical Review Letters. [IF=2.288, Cited=23, 11290255].
Woicik JC, Nelson EJ, Kronik L, ..., Herman GS (2002) Hybridization and bond-orbital components in site-specific X-ray
photoelectron spectra of rutile TiO2. Physical Review Letters. [IF=2.288, Cited=11, 12190555].
Oğüt S, Burdick R, Saad Y, Chelikowsky JR (2003) Ab initio calculations for large dielectric matrices of confined
systems. Physical Review Letters. [IF=2.288, Cited=11, 12688897].
Oğüt S, Chelikowsky JR (2003) Charge state dependent Jahn-Teller distortions of the e-center defect in crystalline Si.
Physical Review Letters. [IF=2.288, Cited=1, 14683194].
Melnikov DV, Chelikowsky JR (2004) Quantum confinement in phosphorus-doped silicon nanocrystals. Physical Review
Letters. [IF=2.288, Cited=24, 14995392].
Huang X, Makmal A, Chelikowsky JR, Kronik L (2005) Size-dependent spintronic properties of dilute magnetic semiconductor
nanocrystals. Physical Review Letters. [IF=2.288, Cited=14, 16090492].
Dalpian GM, Chelikowsky JR (2006) Self-purification in semiconductor nanocrystals. Physical Review Letters. [IF=2.288,
Cited=102, 16803336].
del Puerto ML, Tiago ML, Chelikowsky JR (2006) Excitonic effects and optical properties of passivated CdSe clusters.
Physical Review Letters. [IF=2.288, Cited=13, 17026380].
Tiago ML, Zhou Y, Alemany MMG, ..., Chelikowsky JR (2006) Evolution of magnetism in iron from the atom to the bulk.
Physical Review Letters. [IF=2.288, Cited=12, 17155287].
Rollmann G, Gruner ME, Hucht A, ..., Chelikowsky JR (2007) Shellwise Mackay transformation in iron nanoclusters.
Physical Review Letters. [IF=2.288, Cited=13, 17930948].