Publications

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Nolan M., V. Verdugo S, Metiu H..  2008.  Vacancy formation and CO adsorption on gold-doped ceria surfaces. Surface Science. 602:2734-2742.
Noffsinger J., Kioupakis E., Van de Walle C.G., Louie S.G, Cohen M.L.  2012.  Phonon-Assisted Optical Absorption in Silicon from First Principles. Phys. Rev. Lett.. 108:167402.
Ning S-Q, Jiang H-C, Liu Z-X.  2014.  Fermionic Symmetry Protected Topological Phase Induced by Interactions. arXiv preprint arXiv:1412.0092.
Nguyen C.  2019.  Multiscale network characterization of the strength and robustness of trabecular bone.
Nazarian O, Zok FW.  2014.  Shear-Dominated Plastic Behavior of a Cross-ply Dyneema® Composite. Composites Part A: Applied Science and Manufacturing.
Naughton HR, Alexandrou MA, Oakley TH, Cardinale BJ.  2015.  Phylogenetic distance does not predict competition in green algal communities. Ecosphere. 6:art116.
Natarajan ARaju, Van der Ven A.  2017.  A unified description of ordering in HCP Mg-RE alloys. Acta Materialia. 124:620–632.
Natarajan ARaju, Van der Ven A.  2019.  Connecting the Simpler Structures to Topologically Close-Packed Phases. Physical review letters. 121:255701.
Natarajan ARaju, Van der Ven A.  2019.  Machine-learning the configurational energy of multicomponent crystalline solids. npj Computational Materials. 4:56.
Natarajan ARaju, Van der Ven A.  2020.  Linking electronic structure calculations to generalized stacking fault energies in multicomponent alloys. arXiv preprint arXiv:2001.06912.
Natarajan ARaju, Van der Ven A.  2017.  First-principles investigation of phase stability in the Mg-Sc binary alloy. Physical Review B. 95:214107.
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Murray M.M, Griffin-Krone M., Bernstein S.L, Baumketner A., Condron M.M, Lazo N.D, Teplow D.B, Wyttenbach T., Shea J.-E., Bowers J.MT.  2009.  Amyloid-beta-Protein: Experiment and Theory on the 21-30 Fragment. Phys. Chem. B. 113:6041.
Mullen RGotchy, Shea J-E, Peters B.  2014.  Transmission coefficients, committors, and solvent coordinates in ion-pair dissociation. Journal of Chemical Theory and Computation.
Mullen RGotchy, Shea J-E, Peters B.  2015.  Easy Transition Path Sampling Methods: Flexible Length Aimless Shooting and Permutation Shooting. Journal of Chemical Theory and Computation.
Mullen RGotchy, Shea J-E, Peters B.  2014.  Communication: An existence test for dividing surfaces without recrossing. The Journal of Chemical Physics. 140:041104.
Mu S, Peelaers H, Van de Walle CG.  2019.  Ab initio study of enhanced thermal conductivity in ordered AlGaO3 alloys. Applied Physics Letters. 115:242103.
Motrunich O.I.  2005.  Variational study of triangular lattice spin-1/2 model with ring exchanges and spin liquid state in kappa-(ET)2 Cu2 (CN)3. Phys. Rev. B. 72:45105.
Motrunich O.I.  2006.  Orbital magnetic field effects in spin liquid with spinon Fermi sea: Possible application to kappa-(ET)2 Cu2 (CN)3. Phys. Rev. B. 73:155115.
Mostovoy M, Scaramucci A, Spaldin NA, Delaney KT.  2010.  Temperature-Dependent Magnetoelectric Effect from First Principles. Phys. Rev. Lett.. 105:87202.
Mostovoy M, Scaramucci A, Spaldin NA, Delaney KT.  2010.  Microscopic theory of temperature-dependent magnetoelectric effect in Cr2O3. Phys. Rev. Lett.. 105:87202.
Moses PGeorg, Van de Walle CG.  2010.  Band bowing and band alignment in InGaN alloys. Appl. Phys. Lett.. 96:21908.
Moses PG, Janotti A, Franchini C, Kresse G, Van de Walle CG.  2016.  Donor defects and small polarons on the TiO2 (110) surface. Journal of Applied Physics. 119:181503.
Morriss-Andrews A, Shea J-E.  2014.  Simulations of Protein Aggregation: Insights from Atomistic and Coarse-Grained Models. The Journal of Physical Chemistry Letters.

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