Publications

Selected publications

Sol Samuels, Chance M. Baxter, and Susan R. Atlas, "Information encoding in spherical DFT,"  J. Chem. Phys. 164, 014109 (2026).

Surya T. Bijjala, Susan R. Atlas, and Pankaj Kumar, "Elastic tensor-derived properties of composition-dependent disordered refractory binary alloys using DFPT," Modelling Simul. Mater. Sci. Eng. 34, 015006 (2026).

Susan R. Atlas, “ Embedding quantum statistical excitations in a classical force field,” J. Phys. Chem. A, 125, 3760-3775 (2021).

S. M. Valone, G. Pilania, X. Y. Liu, J. R. Allen, T.-C. Wu, S. R. Atlas, and D. H. Dunlap, “ Fragment-based Hamiltonian model of electronic charge-excitation gaps and gap closure,” J. Chem. Phys. 143, 181104 (2015).

Steven M. Valone, Susan R. Atlas, and Michael I. Baskes, “ Fragment Hamiltonian model potential for nickel: Metallic character and defects in crystalline lattices,” Modelling Simul. Mater. Sci. Eng. 22, 045013 (2014).

Erik Andries, Thomas Hagstrom, Susan R. Atlas, and Cheryl L. Willman, “ Regularization strategies for hyperplane classifiers: Application to cancer classification with gene expression data, “ J. Bioinf. Comp. Biol. 5, 79-104 (2007).

Steven M. Valone and Susan R. Atlas, “ Energy dependence on fractional charge for strongly interacting subystems,” Phys. Rev. Lett. 97, 256402 (2006).

S. M. Valone and S. R. Atlas. “ Electron correlation, reference states, and empirical potentials,” Phil. Mag. 86, 2683-2711 (2006).

Paul Helman, Robert Veroff, Susan R. Atlas, and Cheryl Willman. “ A Bayesian network classification methodology for gene expression data,” J. Comp. Biol. 11, 581-615 (2004).

Steven M. Valone and Susan R. Atlas, “ An empirical charge transfer potential with correct dissociation limits,” J. Chem. Phys. 120, 7262-7273 (2004).

Alan F. Wright and Susan R. Atlas, “ Density functional calculations for grain boundaries in aluminum,” Phys. Rev. B 5, 15248-15260 (1994).

Alan F. Wright, Peter J. Feibelman, and Susan R. Atlas, “ First-principles calculation of the Mg(0001) surface relaxation, ” Surface Science 302, 215-222 (1994).

M. Pont, A. Bugacov, and S. R. Atlas, “Some recent developments in multiphoton ionization of atoms in intense fields, In: Proceedings of the NATO Advanced Research Workshop on Super Intense Laser Atom Physics (SILAP) III, pp. 195-212 (Pergamon Press, London, 1993).

Phillip E. Moskowitz, Phillip L. Gould, Susan R. Atlas, and David E. Pritchard, “ Deflection of an atomic beam by standing-wave radiation,” Phys. Rev. Lett. 51, 370-373 (1983).

A complete listing can be found at Google Scholar