Publications

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M
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.  Communication: An existence test for dividing surfaces without recrossing. The Journal of Chemical Physics. 140:041104.
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.
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 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.
Moses PGeorg, Van de Walle CG.  2010.  Band bowing and band alignment in InGaN alloys. Appl. Phys. Lett.. 96:21908.
Morriss-Andrews A, Brown FLeon Halet, Shea J-E.  2014.  A Coarse-Grained Model for Peptide Aggregation on a Membrane Surface. The Journal of Physical Chemistry B.
Morriss-Andrews A, Shea J-E.  2015.  Computational Studies of Protein Aggregation: Methods and Applications. Annual review of physical chemistry. 66:643–666.
Morriss-Andrews A, Shea J-E.  2014.  Simulations of Protein Aggregation: Insights from Atomistic and Coarse-Grained Models. The Journal of Physical Chemistry Letters.
Morgan EE, Mao L, Teicher SML, Wu G, Seshadri R.  2020.  Tunable Perovskite-Derived Bismuth Halides: Cs3Bi2 (Cl1–x I x) 9. Inorganic Chemistry.
Momida H, Cockayne E, Umezawa N, Ohno T.  2010.  Computational study of the dielectric properties of [La,Sc]2O3 solid solutions. Journal of Applied Physics. 107:74104.
Mishmash RV, Gonzalez I, Melko RG, Motrunich OI, Fisher M.  2015.  Continuous Mott Transition between a Metal and a Quantum Spin Liquid. Physical Review B. 91(23):16.
Mishmash RV, Garrison JR, Bieri S, Xu C.  2013.  Theory of a competitive spin liquid state for kappa-(BEDT-TTF) 2Cu2 (CN) 3 and EtMe3Sb [Pd (dmit) 2] 2. arXiv preprint arXiv:1307.0829.
Misch LM, Brgoch J, Birkel A, Mates TE, Stucky GD, Seshadri R.  2014.  Rapid Microwave Preparation and ab Initio Studies of the Stability of the Complex Noble Metal Oxides La2BaPdO5 and La2BaPtO5. Inorganic chemistry.
Mikhnenko OV, Collins SD, Nguyen T-Q.  2015.  Rectifying Electrical Noise with an Ionic-Organic Ratchet. Advanced Materials. 27:2007–2012.
Miao M-S, Hoffmann R.  2014.  High Pressure Electrides: A Predictive Chemical and Physical Theory. Accounts of chemical research. 47:1311–1317.
Miao M-S, Hoffmann R.  2015.  High-Pressure Electrides: The Chemical Nature of Interstitial Quasiatoms. Journal of the American Chemical Society. 137:3631–3637.
Miao M-S, Hoffmann R, Botana J, Naumov II, Hemley RJ.  2017.  Quasimolecules in Compressed Lithium. Angewandte Chemie. 129:992–995.
Miao M-S, Kurzman JA, Mammen N, Narasimhan S, Seshadri R.  2012.  Trends in the Electronic Structure of Extended Gold Compounds: Implications for Use of Gold in Heterogeneous Catalysis. Inorg. Chem.. 51:7569.
Miao M-S, Lambrecht WRL.  2012.  Single well or double well: First-principles study of 8H and 3C inclusions in the 4H SiC polytype. Physical Review B. 85(20):205318.

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