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Physical Review Letters|March 6, 2004
Quantum confinement in phosphorus-doped silicon nanocrystalsDmitriy V Melnikov, James R ChelikowskyNano Letters|February 4, 2010
Controlling diffusion of lithium in silicon nanostructuresTzu-Liang Chan, James R ChelikowskyPhysical Review Letters|April 3, 2012
Structure selection based on high vertical electron affinity for TiO2 clustersNoa Marom, Minjung Kim, James R ChelikowskyNano Letters|July 26, 2019
Discrimination of Bond Order in Organic Molecules Using Noncontact Atomic Force MicroscopyDingxin Fan, Yuki Sakai, James R ChelikowskyThe Journal of Chemical Physics|November 3, 2016
Minimax rational approximation of the Fermi-Dirac distributionJonathan E MoussaThe Journal of Physical Chemistry. A|September 3, 2025
The Enduring Relevance of Semiempirical Quantum MechanicsJonathan E MoussaThe Journal of Chemical Physics|April 8, 2023
Model selection in atomistic simulationJonathan E MoussaThe Journal of Chemical Physics|January 14, 2014
Cubic-scaling algorithm and self-consistent field for the random-phase approximation with second-order screened exchangeJonathan E MoussaPhysical Review Letters|December 21, 2011
Reliability of hybrid functionals in predicting band gapsManish Jain, James R Chelikowsky, Steven G LouieNano Letters|April 7, 2016
First-Principles Atomic Force Microscopy Image Simulations with Density Embedding TheoryYuki Sakai, Alex J Lee, James R ChelikowskyPageof 8