Publications

Journal Article
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.
Kioupakis E, Rinke P, Schleife A, Bechstedt F, Van de Walle CG.  2010.  Free-carrier absorption in nitrides from first principles. Phys. Rev. B. 81:241201.
Peelaers H, Kioupakis E, Van de Walle CG.  2015.  Free-carrier absorption in transparent conducting oxides: Phonon and impurity scattering in SnO 2. Physical Review B. 92:235201.
Hateley JC, Chai L, Tong P, Yang X.  2018.  Frozen Gaussian approximation for 3-D elastic wave equation and seismic tomography. Geophysical Journal International. 216:1394–1412.
Chai L, Tong P, Yang X.  2018.  Frozen Gaussian approximation for 3D seismic tomography. Inverse Problems. 34:055004.
Delgadillo R, Yang X, Zhang J.  2017.  Frozen Gaussian Approximation-Based Artificial Boundary Conditions for One-Dimensional Nonlinear Schrödinger Equation in the Semiclassical Regime. Journal of Scientific Computing. :1–20.
Peelaers H., Kioupakis E., Van de Walle C.G.  2012.  Fundamental limits on optical transparency of transparent conducting oxides: Free-carrier absorption in SnO2. Applied Physics Letters. 100:011914-011914-3.
Kang Y, Krishnaswamy K, Peelaers H, Van de Walle CG.  2017.  Fundamental limits on the electron mobility of $\beta$-Ga2O3. Journal of Physics: Condensed Matter. 29:234001.
Barkeshli M, Jiang H-C, Thomale R, Qi X-L.  2015.  Generalized Kitaev Models and Extrinsic Non-Abelian Twist Defects. Physical Review Letters. 114:026401.
Barkeshli M, Jiang H-C, Thomale R, Qi X-L.  2014.  Generalized Kitaev Models and Slave Genons. arXiv preprint arXiv:1405.1780.
Tsai CL, Delaney KT, Fredrickson GH.  2016.  Genetic Algorithm for Discovery of Globally Stable Phases in Block Copolymers. Macromolecules. 49(17):6558–6567.
Alexandrou MA, Swartz BA, Matzke NJ, Oakley TH.  2013.  Genome duplication and multiple evolutionary origins of complex migratory behavior in Salmonidae. Molecular phylogenetics and evolution. 69:514–523.
Shelton E, Serwane F, CampÀs O.  2017.  Geometrical characterization of fluorescently labelled surfaces from noisy 3D microscopy data. Journal of microscopy. 269:259–268.
Adamski NL, Dreyer CE, Van de Walle CG.  2019.  Giant polarization charge density at lattice-matched GaN/ScN interfaces. Applied Physics Letters. 115:232103.
Suen JY, Fang MT, Lubin PM.  2014.  Global Distribution of Water Vapor and Cloud Cover—Sites for High-Performance THz Applications. Terahertz Science and Technology, IEEE Transactions on. 4:86–100.
Wang Y, Yepremyan A, Ghorai S, Todd R, Aue DH, Zhang L.  2013.  Gold-Catalyzed Cyclizations of cis-Enediynes: Insights into the Nature of Gold–Aryne Interactions. Angewandte Chemie. 125:7949–7953.
J Pro W, Lim RKwei, Petzold LR, Utz M, Begley MR.  2015.  GPU-based simulations of fracture in idealized brick and mortar composites. Journal of the Mechanics and Physics of Solids. 80:68–85.
Khan SA, Vandervelden CA, Scott SL, Peters B.  2020.  Grafting metal complexes onto amorphous supports: from elementary steps to catalyst site populations via kernel regression. Reaction Chemistry & Engineering. 5:66–76.
Gonzalez-Juez E.D, Meiburg E., Constantinescu S.G.  2009.  Gravity currents impinging on submerged cylinders: flow fields and associated forces. J. Fluid Mech.. 631:65-102.
Denault K, Paden S, Brinkley S, Mikhailovsky AA, Neuefeind JC, DenBaars SP, Seshadri R.  2012.  A green-yellow emitting oxyfluoride solid solution phosphor Sr2Ba (AlO4F) 1- x (SiO5) x: Ce3+ for thermally stable, high color rendition solid state white lighting. Journal of Materials Chemistry. 22:18204.
Chen R., Ju H., Jiang H.C, Starykh O.A, Balents L..  2013.  Ground states of spin-1/2 triangular antiferromagnets in a magnetic field. Phys. Rev. B. (in press)
Varley J.B, Janotti A., Van de Walle C.G.  2010.  Group-V impurities in SnO2 from first-principles calculations. Phys. Rev. B. 81:245216.
Hu Z, Metiu H.  2012.  Halogen Adsorption on CeO2: The Role of Lewis AcidäóñBase Pairing. The Journal of Physical Chemistry C. 116(11):6664-6671.

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