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2018
M. C. Nguyen, Yao, Y. X., Wang, C. Z., Ho, K. M., and Antropov, V. P., Magnetocrystalline anisotropy in cobalt based magnets: a choice of correlation parameters and the relativistic effects, Journal of Physics-Condensed Matter, vol. 30, p. 195801, 2018.
A. Basak and Levitas, V. I., Nanoscale multiphase phase field approach for stress- and temperature-induced martensitic phase transformations with interfacial stresses at finite strains, Journal of the Mechanics and Physics of Solids, vol. 113, pp. 162-196, 2018.
P. Xu, Guidez, E. B., Bertoni, C., and Gordon, M. S., Perspective: Ab initio force field methods derived from quantum mechanics, Journal of Chemical Physics, vol. 148, p. 090901, 2018.
Q. Li, Peer, A., Cho, I. H., Biswas, R., and Kim, J., Replica molding-based nanopatterning of tribocharge on elastomer with application to electrohydrodynamic nanolithography, Nature Communications, vol. 9, p. 974, 2018.
M. A. White, Medina-Gonzalez, A. M., and Vela, J., Soft Chemistry, Coloring and Polytypism in Filled Tetrahedral Semiconductors: Toward Enhanced Thermoelectric and Battery Materials, Chemistry-a European Journal, vol. 24, p. 3650-+, 2018.
B. A. Rosales, White, M. A., and Vela, J., Solution-Grown Sodium Bismuth Dichalcogenides: Toward Earth-Abundant, Biocompatible Semiconductors, Journal of the American Chemical Society, vol. 140, pp. 3736-3742, 2018.
H. Walen, Liu, D. J., Oh, J., Yang, H. J., Spurgeon, P. M., Kim, Y., and Thiel, P. A., Sulfur Atoms Adsorbed on Cu(100) at Low Coverage: Characterization and Stability against Complexation, Journal of Physical Chemistry B, vol. 122, pp. 963-971, 2018.
2017
G. Zhang, Glasbrenner, J. K., Flint, R., Mazin, I. I., and Fernandes, R. M., Double-stage nematic bond ordering above double stripe magnetism: Application to BaTi2Sb2O, Physical Review B, vol. 95, p. 174402, 2017.
J. J. Yang, Colen, J., Liu, J., Nguyen, M. C., Chern, G. W., and Louca, D., Elastic and electronic tuning of magnetoresistance in MoTe2, Science Advances, vol. 3, p. eaao4949, 2017.
B. Madavali, Kim, H. S., Lee, K. H., and Hong, S. J., Enhanced Seebeck coefficient by energy filtering in Bi-Sb-Te based composites with dispersed Y2O3 nanoparticles, Intermetallics, vol. 82, pp. 68-75, 2017.
A. Basak and Levitas, V. I., Interfacial stresses within boundary between martensitic variants: Analytical and numerical finite strain solutions for three phase field models, Acta Materialia, vol. 139, pp. 174-187, 2017.
M. Liu, Zhang, Z. X., Wang, S. Q., Cao, G. H., Russell, A. M., Liu, Y. H., Dong, X. M., Zhang, C. X., and Zhang, Z. H., Microstructure evolution and mechanical properties in 1Cr low alloy steel with different heat treatments, Materials Science and Engineering a-Structural Materials Properties Microstructure and Processing, vol. 705, pp. 291-299, 2017.
T. J. Xiao and Song, X. Y., A molecular Debye-Huckel theory and its applications to electrolyte solutions: The size asymmetric case, Journal of Chemical Physics, vol. 146, p. 124118, 2017.
C. Bertoni, Slipchenko, L. V., Misquitta, A. J., and Gordon, M. S., Multipole Moments in the Effective Fragment Potential Method, Journal of Physical Chemistry A, vol. 121, pp. 2056-2067, 2017.
G. Tessitore, Mudring, A. V., and Kramer, K. W., Room temperature synthesis of beta-NaGdF4: RE3+ (RE= Eu, Er) nanocrystallites and their luminescence, Journal of Luminescence, vol. 189, pp. 91-98, 2017.
L. Luo, Men, L., Liu, Z. Y., Mudryk, Y., Zhao, X., Yao, Y. X., Park, J. M., Shinar, R., Shinar, J., Ho, K. M., Perakis, I. E., Vela, J., and Wang, J. G., Ultrafast terahertz snapshots of excitonic Rydberg states and electronic coherence in an organometal halide perovskite, Nature Communications, vol. 8, p. 15565, 2017.
2016
H. J. Song and Hoyt, J. J., Barrier-Free Nucleation at Grain-Boundary Triple Junctions During Solid-State Phase Transformations, Physical Review Letters, vol. 117, p. 238001, 2016.
J. Zhang, Nguyen, M. C., Balasubramanian, B., Das, B., Sellmyer, D. J., Zeng, Z., Ho, K. M., and Wang, C. Z., Crystal structure and magnetic properties of new Fe3Co3X2 (X = Ti, Nb) intermetallic compounds, Journal of Physics D-Applied Physics, vol. 49, p. 175002, 2016.
T. N. Lamichhane, Taufour, V., Masters, M. W., Parker, D. S., Kaluarachchi, U. S., Thimmaiah, S., Bud'ko, S. L., and Canfield, P. C., Discovery of ferromagnetism with large magnetic anisotropy in ZrMnP and HfMnP, Applied Physics Letters, vol. 109, p. 092402, 2016.
K. Yanai, Ishimura, K., Nakayama, A., Schmidt, M., Gordon, M. S., and Hasegawa, J., Electronic Polarization Effect of the Water Environment in Charge-Separated Donor-Acceptor Systems: An Effective Fragment Potential Model Study, Journal of Physical Chemistry A, vol. 120, pp. 10273-10280, 2016.
V. Taufour, Kaluarachchi, U. S., Khasanov, R., Nguyen, M. C., Guguchia, Z., Biswas, P. K., Bonfa, P., De Renzi, R., Lin, X., Kim, S. K., Mun, E. D., Kim, H., Furukawa, Y., Wang, C. Z., Ho, K. M., Bud'ko, S. L., and Canfield, P. C., Ferromagnetic Quantum Critical Point Avoided by the Appearance of Another Magnetic Phase in LaCrGe3 under Pressure, Physical Review Letters, vol. 117, p. 037207, 2016.
H. Walen, Liu, D. J., Oh, J., Yang, H. J., Kim, Y., and Thiel, P. A., Formation of Two-Dimensional Copper Selenide on Cu(111) at Very Low Selenium Coverage, Chemphyschem, vol. 17, pp. 2137-2145, 2016.
J. S. Boschen, Lee, J., Windus, T. L., Evans, J. W., and Liu, D. J., Size Dependence of S-bonding on (111) Facets of Cu Nanoclusters, Journal of Physical Chemistry C, vol. 120, pp. 10268-10274, 2016.
W. Li, Huang, L., Evans, J. W., and Han, Y., Submonolayer Ag films on Fe(100): A first-principles analysis of energetics controlling adlayer thermodynamics and kinetics, Physical Review B, vol. 93, p. 155416, 2016.
2015
V. Borovikov, Mendelev, M. I., King, A. H., and LeSar, R., Effect of stacking fault energy on mechanism of plastic deformation in nanotwinned FCC metals, Modelling and Simulation in Materials Science and Engineering, vol. 23, p. 055003, 2015.

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