Publications

Journal Article
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.
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.
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.
Park MSik, Janotti A, Van de Walle CG.  2009.  Formation and migration of charged point defects in MgH2: First-principles calculations. Phys. Rev. B. 80:64102.
Ratcliff EL, II RCBakus, Welch GC, van der Poll TS, Garcia A, Cowan SR, MacLeod BA, Ginley DS, Bazan GC, Olson DC.  2013.  Formation of interfacial traps upon surface protonation in small molecule solution processed bulk heterojunctions probed by photoelectron spectroscopy. Journal of Materials Chemistry C. 1:6223–6234.
Baumketner A., Shea J.-E..  2005.  Free Energy Landscapes for Amyloidogenic Tetrapeptides Dimerization. Biophysical Journal. 89:1493-1503.

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