Publications

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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.
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.  Microscopic theory of temperature-dependent magnetoelectric effect in Cr2O3. Phys. Rev. Lett.. 105:87202.
Mostovoy M, Scaramucci A, Spaldin NA, Delaney KT.  2010.  Temperature-Dependent Magnetoelectric Effect from First Principles. 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, 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.
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, 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.
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.
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, Wang X-li, Brgoch J, Spera F, Jackson MG, Kresse G, Lin H-qing.  2015.  Anionic Chemistry of Noble Gases: Formation of Mg–NG (NG= Xe, Kr, Ar) Compounds under Pressure. Journal of the American Chemical Society. 137:14122–14128.
Miao M-S.  2013.  Caesium in high oxidation states and as a p-block element. Nature chemistry. 5:846–852.
Miao M.S, Yan Q.M, Van de Walle C.G..  2013.  Electronic structure of a single-layer InN quantum well in a GaN matrix. Appl. Phys. Lett.. 102:102103.
Miao M, Botana J, Pravica M, Sneed D, Park C.  2017.  Inner-shell chemistry under high pressure. Japanese Journal of Applied Physics. 56:05FA10.
Miao M, Brgoch J, Krishnapriyan A, Goldman A, Kurzman JA, Seshadri R.  2013.  On the Stereochemical Inertness of the Auride Lone Pair: Ab Initio Studies of AAu (A= K, Rb, Cs). Inorganic chemistry. 52:8183–8189.
Miao M-S, Van de Walle CG.  2015.  Nitride-based high-electron-mobility transistor with single-layer InN for mobility-enhanced channel. Applied Physics Express. 8:024302.
Miao M-S, Botana J, Zurek E, Hu T, Liu J, Yang W.  2016.  Electron counting and a large family of two-dimensional semiconductors. Chemistry of Materials. 28:1994–1999.

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