Publications
CSC research acknowledged in publications and presentations.
Please remember to continue to acknowledge the use of CSC resources with
Use was made of computational facilities purchased with funds from the National Science Foundation (CNS-1725797) and administered by the Center for Scientific Computing (CSC). The CSC is supported by the California NanoSystems Institute and the Materials Research Science and Engineering Center (MRSEC; NSF DMR 2308708) at UC Santa Barbara.
Selected Publications
2010
Electric and magnetic polarizabilities of hexagonal Ln2CuTiO6 (Ln=Y, Dy, Ho, Er and Yb)
Electric and magnetic polarizabilities of hexagonal Ln2CuTiO6 (Ln=Y, Dy, Ho, Er and Yb). Phys. Rev. B 82, 134203 (2010), 82, 134203.
. (2010). Electron-lattice instabilities suppress cuprate-like electronic structures in SrFeO3/SrTiO3 superlattices
Electron-lattice instabilities suppress cuprate-like electronic structures in SrFeO3/SrTiO3 superlattices. Phys. Rev. B, 81, 85109.
. (2010). Field-theoretic simulations in the Gibbs ensemble
Field-theoretic simulations in the Gibbs ensemble. J. Chem. Phys., 132, 24104.
. (2010). Free-carrier absorption in nitrides from first principles
Free-carrier absorption in nitrides from first principles. Phys. Rev. B, 81, 241201.
. (2010). Group-V impurities in SnO2 from first-principles calculations
Group-V impurities in SnO2 from first-principles calculations. Phys. Rev. B, 81, 245216.
. (2010). Hybrid functional studies of the oxygen vacancy in TiO2
Hybrid functional studies of the oxygen vacancy in TiO2. Phys. Rev. B, 81, 85212.
. (2010). Hydrogen donors in SnO2 studied by infrared spectroscopy and first-principles calculations
Hydrogen donors in SnO2 studied by infrared spectroscopy and first-principles calculations. Phys. Rev. B, 82, 193201.
. (2010). Intrinsic and extrinsic causes of electron accumulation layers on InAs surfaces
Intrinsic and extrinsic causes of electron accumulation layers on InAs surfaces. Appl. Phys. Lett., 97, 192106.
. (2010). J dependence in the LSDA+U treatment of noncollinear magnets
J dependence in the LSDA+U treatment of noncollinear magnets. Phys. Rev. B, 82, 220402.
. (2010). Microscopic theory of temperature-dependent magnetoelectric effect in Cr2O3
Microscopic theory of temperature-dependent magnetoelectric effect in Cr2O3. Phys. Rev. Lett., 105, 87202.
. (2010). Origin of high solubility of silicon in La2O3: A first-principles study
Origin of high solubility of silicon in La2O3: A first-principles study. Appl. Phys. Lett., 97, 202906.
. (2010). Oxygen vacancies and donor impurities in beta-Ga2O3
Oxygen vacancies and donor impurities in beta-Ga2O3. Appl. Phys. Lett., 97, 142106.
. (2010). Population resequencing reveals local adaptation of Arabidopsis lyrata to serpentine soils
Population resequencing reveals local adaptation of Arabidopsis lyrata to serpentine soils. Nature Genetics, 42, 260-263.
. (2010). The properties of small Ag clusters bound to DNA bases
The properties of small Ag clusters bound to DNA bases. J. Chem. Phys., 132, 195102.
. (2010). Quantum Computing with Defects
Quantum Computing with Defects. Proc. Natl. Acad. Sci., 107, 8513. https://doi.org/http://dx.doi.org/10.1073/pnas.1003052107
. (2010). Real-Space Investigation of Structural Changes at the Metal-Insulator Transition in VO\_2
Real-Space Investigation of Structural Changes at the Metal-Insulator Transition in VO\_2. Physical Review Letters, 105, 056404. https://doi.org/10.1103/PhysRevLett.105.056404 (Original work published 07/2010 C.E.)
. (2010). Role of strain in polarization switching in semipolar InGaN/GaN quantum wells
Role of strain in polarization switching in semipolar InGaN/GaN quantum wells. Appl. Phys. Lett., 97, 181102.
. (2010). Sequence periodicity and secondary structure propensity in model proteins
Sequence periodicity and secondary structure propensity in model proteins. Protein Science, 19, 141.
. (2010). Strain-induced isosymmetric phase transition in BiFeO3
Strain-induced isosymmetric phase transition in BiFeO3. Phys. Rev. B, 81, 54109.
. (2010). Structural diversity of dimers of the Alzheimer amyloid-β(25\textendash35) peptide and polymorphism of the resulting fibrils
Structural diversity of dimers of the Alzheimer amyloid-β(25\textendash35) peptide and polymorphism of the resulting fibrils. Phys. Chem. Chem. Phys, 12, 3622.
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