Publications
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2021. Physics-based computational and theoretical approaches to intrinsically disordered proteins. Current Opinion in Structural Biology. 67:219–225.
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2021. Piezoelectric effect and polarization switching in Al $ _ ${$1-x$}$ $ Sc $ _x $ N. arXiv preprint arXiv:2105.07325.
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2021. Properties of Methane and Carbon Adsorbed at the Interface between Molten NaBr and Ni (111). The Journal of Physical Chemistry C. 125:3980–3987.
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2021. Protein Cold Denaturation in Implicit Solvent Simulations: A Transfer Free Energy Approach. The Journal of Physical Chemistry B.
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2020. Performing solvation free energy calculations in LAMMPS using the decoupling approach. Journal of Computer-Aided Molecular Design. :1–6.
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2020. Phylogenomic analysis and morphological data suggest left-right swimming behavior evolved prior to the origin of the pelagic Phylliroidae (Gastropoda: Nudibranchia). Organisms Diversity & Evolution. :1–11.
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2020. Physical constraints on early blastomere packings. bioRxiv.
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2020. Prospects for high carrier mobility in the cubic germanates. Semiconductor Science and Technology.
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2020. Protein Stability in TMAO and Mixed Urea-TMAO Solutions. The Journal of Physical Chemistry B.
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2019. Phase-field-based calculations of the disregistry fields of static extended dislocations in FCC metals. Philosophical Magazine. 99:1400–1428.
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2019. Phonon-and charged-impurity-assisted indirect free-carrier absorption in Ga 2 O 3. Physical Review B. 100:081202.
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2018. PCCP. Phys. Chem. Chem. Phys. 20:12373–12380.
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2018. Posner molecules: from atomic structure to nuclear spins. Physical Chemistry Chemical Physics. (20):12373-12380.
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2018. Principles for Optimal Cooperativity in Allosteric Materials. Biophysical Journal. 114(12):2787-2798.
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2017. Partial breakdown of quantum thermalization in a Hubbard-like model. Phys. Rev. B. 95:054204.
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2017. Partitioned Similarity Search with Cache-Conscious Data Traversal. ACM Transactions on Knowledge Discovery from Data (TKDD). 11:34.
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2017. Phase diagram of the frustrated asymmetric ferromagnetic spin ladder. The European Physical Journal B. 90:105.
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2017. Phase transformations upon doping in WO3. The Journal of Chemical Physics. 146:214504.
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2017. Polynomial preserving recovery for high frequency wave propagation. Journal of Scientific Computing. 71:594–614.
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2016. Phase and structural stability in Ni-Al systems from first principles. Physical Review B. 94(9):14.
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2016. Phase field mapping for accurate, ultrafast simulations of directed self-assembly. SPIE Advanced Lithography.
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2016. Point defects, impurities, and small hole polarons in GdTiO 3. Physical Review B. 93:115316.
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2016. Polynomial Preserving Recovery for High Frequency Wave Propagation. Journal of Scientific Computing. 69(1):1–21.