Publications
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2021. Free energies of crystals computed using Einstein crystal with fixed center of mass and differing spring constants. The Journal of Chemical Physics. 154:164509.
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2020. The First Ultracompact Roche Lobe–Filling Hot Subdwarf Binary. The Astrophysical Journal. 891:45.
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2020. The First Ultracompact Roche Lobe–Filling Hot Subdwarf Binary. The Astrophysical Journal. 891:45.
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2020. First-principles calculations of hyperfine interaction, binding energy, and quadrupole coupling for shallow donors in silicon. npj Computational Materials. 6:1–9.
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2020. First-principles study of transport in WO 3. Physical Review B. 101:045116.
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2020. First-principles surface energies for monoclinic Ga2O3 and Al2O3 and consequences for cracking of (Al x Ga1- x) 2O3. APL Materials. 8:091105.
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2020. Frank-Read source operation in six body-centered cubic refractory metals. Journal of the Mechanics and Physics of Solids. :104017.
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2019. Fermi-level Dirac crossings in 4 d and 5 d cubic metal oxides: NaPd 3 O 4 and NaPt 3 O 4. Physical Review B. 99:195148.
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2019. Ferromagnetism and Spin-Valley liquid states in Moir$\backslash$'${$e$}$ Correlated Insulators. arXiv preprint arXiv:1905.00033.
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2019. Field-Theoretic Study of Salt-Induced Order and Disorder in a Polarizable Diblock Copolymer. ACS Macro Letters.
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2019. First-principles study of antisite defects in perovskite stannates. Journal of Applied Physics. 126:195701.
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2019. First-principles study of electron-phonon interactions and transport in anatase TiO 2. Physical Review B. 100:121113.
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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.
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2018. First-principles calculations of optical transitions at native defects and impurities in ZnO. Oxide-based Materials and Devices IX.
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2018. First-principles characterization of defects in WO 3. Oxide-based Materials and Devices IX.
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2018. First-principles study of direct and indirect optical absorption in BaSnO3. Applied Physics Letters. 112:062106.
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2018. Fluctuating hydrodynamic methods for fluid-structure interactions in confined channel geometries. Applied Mathematics and Mechanics. 39:125–152.
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2018. Frozen Gaussian approximation for 3-D elastic wave equation and seismic tomography. Geophysical Journal International. 216:1394–1412.
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2018. Frozen Gaussian approximation for 3D seismic tomography. Inverse Problems. 34:055004.
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2017. A Ferrocene-Based Conjugated Oligoelectrolyte Catalyzes Bacterial Electrode Respiration. Chem. 2:240–257.
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2017. First-principles analysis of electron transport in BaSnO 3. Physical Review B. 95:205202.
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2017. First-principles characterization of native-defect-related optical transitions in ZnO. Journal of Applied Physics. 122:035704.
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2017. First-principles investigation of phase stability in the Mg-Sc binary alloy. Physical Review B. 95:214107.
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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.
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2017. Frozen Gaussian Approximation-Based Artificial Boundary Conditions for One-Dimensional Nonlinear Schrödinger Equation in the Semiclassical Regime. Journal of Scientific Computing. :1–20.