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Browsing MIT Open Access Articles by Title

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  • Kim, Sejoong; Marzari, Nicola (American Physical Society, 2013-06)
    We present a first-principles approach for inelastic quantum transport calculations based on maximally localized Wannier functions. Electronic-structure properties are obtained from density-functional theory in a plane-wave ...
  • Qiu, Bo; Tian, Zhiting; Vallabhaneni, Ajit; Liao, Bolin; Mendoza, Jonathan M.; Restrepo, Oscar D.; Ruan, Xiulin; Chen, Gang (IOP Publishing, 2015-03)
    The mean free paths (MFPs) of energy carriers are of critical importance to the nano-engineering of better thermoelectric materials. Despite significant progress in the first-principles–based understanding of the spectral ...
  • Chevrier, Vincent L.; Hautier, Geoffroy; Ong, Shyue Ping; Doe, Robert E.; Ceder, Gerbrand (American Physical Society, 2013-03)
    First-principles studies of iron oxyfluorides in the FeF[subscript 2] rutile framework (FeO[subscript x]F[subscript 2−x], 0≤x≤1) are performed using density functional theory (DFT) in the general gradient approximation ...
  • Ceder, Gerbrand; Morgan, Dane; Kang, Kisuk (American Physical Society, 2009-01)
    First principles computations have been used to study Li mobility in the orthorhombic Li2NiO2 structure with the Immm space group (I-Li2NiO2). Understanding Li mobility in I-Li2NiO2 structure other than the conventional ...
  • Kulik, Heather Janine; Blasiak, Leah C.; Marzari, Nicola; Drennan, Catherine L. (American Chemical Society, 2009-09)
    We present here a computational study of reactions at a model complex of the SyrB2 enzyme active site. SyrB2, which chlorinates l-threonine in the syringomycin biosynthetic pathway, belongs to a recently discovered class ...
  • Doe, Robert E.; Persson, Kristin A.; Hautier, Geoffroy; Ceder, Gerbrand (The Electrochemical Society, 2009-04)
    First principles calculations have been used to explore the Li–Bi–F ternary phase diagram. Our results confirm the thermodynamic stability of previously observed phases and find no new phases in this system. Electrochemical ...
  • Mo, Yifei; Ong, Shyue Ping; Ceder, Gerbrand (American Chemical Society (ACS), 2011-12)
    The continued drive for high performance lithium batteries has imposed stricter requirements on the electrolyte materials. Solid electrolytes comprising lithium super ionic conductor materials exhibit good safety and ...
  • Mo, Yifei; Ong, Shyue Ping; Ceder, Gerbrand (American Physical Society (APS), 2011-11)
    The lithium-air chemistry is an interesting candidate for the next-generation batteries with high specific energy. However, this new battery technology is facing substantial challenges, such as a high overpotential upon ...
  • Liao, Bolin; Lee, Sangyeop; Esfarjani, Keivan; Chen, Gang (American Physical Society, 2014-01)
    We study the thermal transport properties of FeSb[subscript 2], a promising thermoelectric material for cooling applications at cryogenic temperatures. A first-principles formalism based on density functional theory and ...
  • Gerstmann, Uwe; Seitsonen, Ari P.; Mauri, Francesco; Ceresoli, Davide (American Physical Society, 2010-02)
    Within density-functional theory we compute the orbital magnetization for periodic systems evaluating a recently discovered Berry-phase formula. For the ferromagnetic metals Fe, Co, and Ni we explicitly calculate the ...
  • Basil, A.; Becker, R.; Becker, Ulrich J.; Behlmann, Matthew Daniel; Berges, P.; Burger, Joseph D.; Cai, X. D.; Capell, Michael H.; Chen, Andrew I.; Chen, H.; Choumilov, Evgueni; Choutko, Vitali; Dennett, P.; Egorov, A.; Eline, Alexandre; Eppling, Frederic J.; Fisher, Peter H.; Flood, Kevin T.; Galaktionov, Y.; Gallilee, M.; Gargiulo, C.; Goglov, Pavel; Hungerford, W.; Incagli, M.; Koulemzine, A.; Kounina, Olga; Kounine, Andrei; Koutsenko, Vladimir; Krafczyk, Matthew Scott; Lebedev, Ilia A.; Plyaskin, V.; Rozhkov, A.; Schinzel, D.; Steuer, V.; Sun, W.; Ting, Samuel C. C.; Ting, S. M.; Titus, Christine; Vaurynovich, Siarhei S.; Vergain, M.; Wang, X.; Willenbrock, M.; Zuccon, Paolo; P. Berges (American Physical Society, 2013-04)
    A precision measurement by the Alpha Magnetic Spectrometer on the International Space Station of the positron fraction in primary cosmic rays in the energy range from 0.5 to 350 GeV based on 6.8×10[superscript 6] positron ...
  • Muller, Berndt; Schukraft, Jurgen; Wyslouch, Boleslaw (Annual Reviews, 2012-07)
    At the end of 2010, the Large Hadron Collider (LHC) at CERN started operation with heavy-ion beams, colliding lead nuclei at a center-of-mass energy of 2.76 TeV per nucleon. These collisions ushered in a new era in ...
  • Gulbis, Amanda A. S.; Bus, S. J.; Elliott, James L.; Rayner, J. T.; Stahlberger, W. E.; Rojas, Folkers E.; Adams, Elisabeth Rose; Person, Michael J.; Chung, R.; Tokunaga, A. T.; Zuluaga, Carlos Andres (University of Chicago Press, The, 2011-04)
    We present a high-speed, visible-wavelength imaging instrument: MORIS (the MIT Optical Rapid Imaging System). MORIS is mounted on the 3 m Infrared Telescope Facility (IRTF) on Mauna Kea, Hawaii. Its primary component is ...
  • Aggarwal, Nancy; Barsotti, Lisa; Bodiya, Timothy Paul; Donovan, Frederick J.; Essick, Reed Clasey; Evans, Matthew J.; Fritschel, Peter K.; Gras, Slawek; Isogai, Tomoki; Katsavounidis, Erotokritos; Kissel, Jeffrey S.; Lee, J.; MacInnis, Myron E.; Mason, Kenneth R.; Matichard, Fabrice; Mavalvala, Nergis; Mittleman, Richard K.; Oelker, Eric Glenn; Shoemaker, David H.; Vaulin, Ruslan; Vitale, Salvatore; Weiss, Rainer; Wipf, Christopher Conrad; Barnum, Sam; Foley, Stephany; Kwee, Patrick; Waldman, Samuel J.; Zhang, Fan (IOP Publishing, 2014-02)
    During the Laser Interferometer Gravitational-wave Observatory and Virgo joint science runs in 2009-2010, gravitational wave (GW) data from three interferometer detectors were analyzed within minutes to select GW candidate ...
  • Gomez-Ceballos, Guillelmo; Goncharov, Maxim; Paus, Christoph M. E. (American Physical Society, 2014-03)
    A search for forbidden and exotic Z boson decays in the diphoton mass spectrum is presented for the first time in hadron collisions, based on data corresponding to 10.0  fb[superscript −1] of integrated luminosity from ...
  • Barsotti, Lisa; Blackburn, Lindy L.; Bodiya, Timothy Paul; Corbitt, Thomas R.; Donovan, Frederick J.; Evans, Matthew J.; Foley, Stephany; Fritschel, Peter K.; Harry, Gregory; Hughey, Barbara; Katsavounidis, Erotokritos; MacInnis, Myron E.; Mason, Kenneth R.; Matichard, Fabrice; Mavalvala, Nergis; Mittleman, Richard K.; Shapiro, Brett Noah; Shoemaker, David H.; Smith, Nicolas de Mateo; Stein, Andrew J.; Stein, Leo Chaim; Waldman, Samuel J.; Weiss, Rainer (IOP Publishing, 2010-09)
    We present a search for periodic gravitational waves from the neutron star in the supernova remnant Cassiopeia A. The search coherently analyzes data in a 12 day interval taken from the fifth science run of the Laser ...
  • Bauer, Gerry P.; Gomez-Ceballos, Guillelmo; Goncharov, Maxim; Makhoul, K.; Paus, Christoph M. E. (American Physical Society, 2011-07)
    We present the first model independent search for three-jet hadronic resonances within multijet events in √s=1.96  TeV pp̅ collisions at the Fermilab Tevatron using the CDF II detector. Pair production of supersymmetric ...
  • Cappallo, Roger J; Corey, Brian E; de Oliveira Costa, Angelica; Dillon, Joshua Shane; Ewall-Wice, Aaron Michael; Feng, Lu; Goeke, Robert F; Hewitt, Jacqueline N; Morgan, Edward H; Tegmark, Max Erik; Whitney, Alan R; Kratzenberg, Eric W; Lonsdale, Colin John; McWhirter, Stephen R.; Rogers, Alan E E; Neben, Abraham Richard; Williams, Christopher Leigh (IOP Publishing, 2016-12)
    The Murchison Widefield Array (MWA) has collected hundreds of hours of Epoch of Reionization (EoR) data and now faces the challenge of overcoming foreground and systematic contamination to reduce the data to a cosmological ...
  • Oberoi, Divya; Matthews, Lynn D.; Lonsdale, Colin John; Benkevitch, Leonid; Cappallo, Roger J.; Corey, Brian E.; Derome, Mark F.; Kennedy, Rachel; Kincaid, Barton B.; McWhirter, Stephen R.; Rogers, Alan E. E.; Salah, Joseph E.; Whitney, Alan R.; Morgan, Edward H.; Williams, Christopher; Goeke, Robert F.; Hewitt, Jacqueline N. (IOP Publishing, 2011-01)
    We present the first spectroscopic images of solar radio transients from the prototype for the Murchison Widefield Array, observed on 2010 March 27. Our observations span the instantaneous frequency band 170.9–201.6 MHz. ...
  • Conrad, Janet; Jones, Christopher LaDon; Katori, Teppei; Spitz, Joshua B.; Terao, Kazuhiro; Winslow, L. (American Physical Society, 2012-12)
    We present a search for Lorentz violation with 8249 candidate electron antineutrino events taken by the Double Chooz experiment in 227.9 live days of running. This analysis, featuring a search for a sidereal time dependence ...
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