Publications

Journal Article
Grzetic DJ, Delaney KT, Fredrickson GH.  2019.  Field-Theoretic Study of Salt-Induced Order and Disorder in a Polarizable Diblock Copolymer. ACS Macro Letters.
Parker E, Balents L.  2018.  Finite-temperature behavior of a classical spin-orbit-coupled model for ${\mathrm{YbMgGaO}}_{4}$ with and without bond disorder. Phys. Rev. B. 97:184413.
Kupfer T, Bauer EB, Marsh TR, van Roestel J, Bellm EC, Burdge KB, Coughlin MW, Fuller J, Hermes JJ, Bildsten L et al..  2020.  The First Ultracompact Roche Lobe–Filling Hot Subdwarf Binary. The Astrophysical Journal. 891:45.
Krishnaswamy K, Himmetoglu B, Kang Y, Janotti A, Van de Walle CG.  2017.  First-principles analysis of electron transport in BaSnO 3. Physical Review B. 95:205202.
Kioupakis E, Steiauf D, Rinke P, Delaney KT, Van de Walle CG.  2014.  First-principles calculations of indirect Auger recombination in nitride semiconductors. arXiv preprint arXiv:1412.7555.
Lyons JL, Varley JB, Steiauf D, Janotti A, Van de Walle CG.  2017.  First-principles characterization of native-defect-related optical transitions in ZnO. Journal of Applied Physics. 122:035704.
Natarajan ARaju, Van der Ven A.  2017.  First-principles investigation of phase stability in the Mg-Sc binary alloy. Physical Review B. 95:214107.
Wilson-Short G.B., Janottia A., Pelesa A., Van de Walle CG.  2009.  First-principles investigations of F and Cl impurities in NaAlH4. Journal of Alloys and Compounds. 484:247.
Su GM, Patel SN, Pemmaraju CD, Prendergast D, Chabinyc ML.  2017.  First-Principles Predictions of Near-Edge X-ray Absorption Fine Structure Spectra of Semiconducting Polymers. The Journal of Physical Chemistry C. 121:9142–9152.
Kc S, Rowberg AJE, Weston L, Van de Walle CG.  2019.  First-principles study of antisite defects in perovskite stannates. Journal of Applied Physics. 126:195701.
Krishnapriyan A, Barton PT, Miao M, Seshadri R.  2014.  First-principles study of band alignments in the p-type hosts BaM2X2 (M= Cu, Ag; X= S, Se). Journal of Physics: Condensed Matter. 26:155802.
Kang Y, Peelaers H, Krishnaswamy K, Van de Walle CG.  2018.  First-principles study of direct and indirect optical absorption in BaSnO3. Applied Physics Letters. 112:062106.
Yan Q, Kioupakis E, Jena D, Van de Walle CG.  2014.  First-principles study of high-field-related electronic behavior of group-III nitrides. Physical Review B. 90:121201.
Krishnaswamy K, Dreyer CE, Janotti A, Van de Walle CG.  2015.  First-principles study of surface charging in LaAlO 3/SrTiO 3 heterostructures. Physical Review B. 92:085420.
Wilson-Short GB, Janotti A, Hoang K, Peles A, Van de Walle CG.  2009.  First-principles study of the formation and migration of native defects in NaAlH4. Phys. Rev. B. 80:224102.
Himmetoglu B, Janotti A, Peelaers H, Alkauskas A, Van de Walle CG.  2014.  First-principles study of the mobility of SrTiO 3. Physical Review B. 90:241204.
Steiauf D, Lyons JL, Janotti A, Van de Walle CG.  2014.  First-principles study of vacancy-assisted impurity diffusion in ZnO. APL Materials. 2:096101.
Lyons JL, Alkauskas A, Janotti A, Van de Walle CG.  2015.  First-principles theory of acceptors in nitride semiconductors. physica status solidi (b). 252:900–908.
Lugowski A, Alber D, Buluc A, Gilbert J, Reinhardt S, Teng Y, Waranis A.  2012.  A Flexible Open-Source Toolbox for Scalable Complex Graph Analysis. SIAM Conference on Data Mining (SDM). in press
Rudorff CM, Melack JM, Bates PD.  2014.  Flooding dynamics on the lower Amazon floodplain: 1. Hydraulic controls on water elevation, inundation extent, and river-floodplain discharge. Water Resources Research.
Rudorff CM, Melack JM, Bates PD.  2014.  Flooding dynamics on the lower Amazon floodplain: 2. Seasonal and interannual hydrological variability. Water Resources Research.
Wang Y, Lei HUAN, Atzberger PJ.  2018.  Fluctuating hydrodynamic methods for fluid-structure interactions in confined channel geometries. Applied Mathematics and Mechanics. 39:125–152.
Camley BA, Brown FLH.  2014.  Fluctuating hydrodynamics of multicomponent membranes with embedded proteins. The Journal of chemical physics. 141:075103.
Brandt EG.  2013.  Fluctuating hydrodynamics simulations of coarse-grained lipid membranes under steady-state conditions and in shear flow. Physical Review E. 88:012714.
Baumketner A., Shea J.-E..  2006.  Folding landscapes of the Alzheimer A\beta12-28 peptide from all-atom replica exchange molecular dynamics simulations in explicit solvent. J. Mol. Biol.. 362:567-579.

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