Publications

Journal Article
Krishnaswamy K, Dreyer CE, Janotti A, Van de Walle CG.  2014.  Structure and energetics of LaAlO 3 (001) surfaces. Physical Review B. 90:235436.
Wu C, Shea J-E.  2013.  Structural Similarities and Differences between Amyloidogenic and Non-Amyloidogenic Islet Amyloid Polypeptide (IAPP) Sequences and Implications for the Dual Physiological and Pathological Activities of These Peptides. PLoS computational biology. 9:e1003211.
Hatt AJ, Spaldin NA.  2010.  Structural phases of strained LaAlO3 driven by octahedral tilt instabilities. Phys. Rev. B. 82:195402.
Hwang J, Son J, Zhang JY, Janotti A, Van de Walle CG, Stemmer S.  2013.  Structural origins of the properties of rare earth nickelate superlattices. Phys. Rev. B. 87(6):60101.
Schueller EC, Kitchaev DA, Zuo JL, Bocarsly JD, Cooley JA, Van der Ven A, Wilson SD.  2020.  Structural evolution and skyrmionic phase diagram of the lacunar spinel GaMo $ _4 $ Se $ _8$. arXiv preprint arXiv:2005.06662.
Wei G, Jewett AI, Shea J-E.  2010.  Structural diversity of dimers of the Alzheimer amyloid-β(25–35) peptide and polymorphism of the resulting fibrils. Phys. Chem. Chem. Phys. 12:3622.
Levin EE, Bocarsly JD, Grebenkemper JH, Issa R, Wilson SD, Pollock TM, Seshadri R.  2020.  Structural coupling and magnetic tuning in Mn2- x Co x P magnetocalorics for thermomagnetic power generation. APL Materials. 8:041106.
Weston L, Janotti A, Cui XY, Himmetoglu B, Stampfl C, Van de Walle CG.  2015.  Structural and electronic properties of SrZrO 3 and Sr (Ti, Zr) O 3 alloys. Physical Review B. 92:085201.
Peelaers H, Varley JB, Speck JS, Van de Walle CG.  2018.  Structural and electronic properties of Ga2O3-Al2O3 alloys. Applied Physics Letters. 112(24)
Song X-Y, Jian C-M, Balents L.  2017.  Strongly correlated metal built from sachdev-ye-kitaev models. Physical review letters. 119:216601.
Lee JHee, Delaney KT, Bousquet E, Spaldin NA, Rabe KM.  2013.  Strong coupling of Jahn-Teller distortion to oxygen-octahedron rotation and functional properties in epitaxially strained orthorhombic LaMnO 3. Physical Review B. 88:174426.
Zhu Z, Jiang H-C, Qi Y, Tian C-S, Weng Z-Y.  2013.  Strong correlation induced charge localization in antiferromagnets. Scientific Reports. 3
Jang SGyu, Audus DJ, Klinger D, Krogstad DV, Kim BJ, Cameron A, Kim S-W, Delaney KT, Hur S-M, Killops KL et al..  2013.  Striped, Ellipsoidal Particles by Controlled Assembly of Diblock Copolymers. Journal of the American Chemical Society. 135(17):6649.
Zheng Y, Miao M-S, Zhang Y, Nguyen T-Q, Wudl F.  2014.  Striking Effect of Intra-versus Intermolecular Hydrogen Bonding on Zwitterions: Physical and Electronic Properties. Journal of the American Chemical Society.
Christen H.M, Nam J.H, Kim H.S, Hatt A.J, Spaldin N.A.  2011.  Stress-induced R-MA-MC-T symmetry changes in BiFeO3 films. Phys. Rev. B. 83:144107.
Adamski NL, Zhu Z, Wickramaratne D, Van de Walle CG.  2019.  Strategies for p-type doping of ZnGeN2. Applied Physics Letters. 114
Hatt AJ, Spaldin NA, Ederer C.  2010.  Strain-induced isosymmetric phase transition in BiFeO3. Phys. Rev. B. 81:54109.
Janotti A., Steiauf D., Van de Walle C.G.  2011.  Strain effects on the electronic structure of SrTiO3: Toward high electron mobilities. Phys. Rev. B. 84:201304.
Yan Q, Rinke P, Scheffler M, Van de Walle CG.  2009.  Strain effects in group-III nitrides: Deformation potentials for AlN, GaN, and InN. Appl. Phys. Lett.. 95:121111.
Yan Q, Rinke P, Scheffler M, Van de Walle CG.  2009.  Strain effects in group-III nitrides: Deformation potentials for AlN, GaN, and InN. Appl. Phys. Lett.. 95:121111.
Yan Q, Rinke P, Winkelnkemper M, Qteish A, Bimberg D, Scheffler M, Van de Walle CG.  2012.  Strain effects and band parameters in MgO, ZnO, and CdO. Appl. Phys. Lett.. 101:152105.
Vlcek V.  2019.  Stochastic vertex corrections: linear scaling methods for accurate quasiparticle energies. Journal of chemical theory and computation. 15:6254–6266.
Brooks J, Weng G, Taylor S, Vlcek V.  2020.  Stochastic many-body perturbation theory for Moiré states in twisted bilayer phosphorene. Journal of Physics: Condensed Matter. 32:234001.
Miao M, Brgoch J, Krishnapriyan A, Goldman A, Kurzman JA, Seshadri R.  2013.  On the Stereochemical Inertness of the Auride Lone Pair: Ab Initio Studies of AAu (A= K, Rb, Cs). Inorganic chemistry. 52:8183–8189.
Li Y, Fisher M.  2020.  Statistical mechanics of quantum error-correcting codes. arXiv preprint arXiv:2007.03822.

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