Publications

X Author: Kristin A Persson

2013

Wu, Yabi, Predrag Lazic, Geoffroy Hautier, Kristin A Persson, and Gerbrand Ceder."First principles high throughput screening of oxynitrides for water-splitting photocatalysts."Energy & Environmental Science 6.1 (2013) 157-168. DOI

2012

Gunter, Dan, Shreyas Cholia, Anubhav Jain, Michael Kocher, Kristin A Persson, Lavanya Ramakrishnan, Shyue P Ong, and Gerbrand Ceder."Community Accessible Datastore of High-Throughput Calculations: Experiences from the Materials Project."High Performance Computing, Networking, Storage and Analysis (SCC) 2012 (2012) 1244-1251. DOI
Lee, Eunseok, and Kristin A Persson."Li absorption and intercalation in single layer graphene and few layer graphene by first principles."Nano letters 12.9 (2012) 4624-4628. DOI
Grimvall, Göran, Blanka Magyari-Köpe, Vidvuds Ozoliņš, and Kristin A Persson."Lattice instabilities in metallic elements."Reviews of Modern Physics 84.2 (2012). DOI
Persson, Kristin A, Bryn Waldwick, Predrag Lazic, and Gerbrand Ceder."Prediction of solid-aqueous equilibria: Scheme to combine first-principles calculations of solids with experimental aqueous states."Physical Review B 85.23 (2012). DOI
Lee, Eunseok, and Kristin A Persson."Revealing the coupled cation interactions behind the electrochemical profile of LixNi0.5Mn1.5O4."Energy & Environmental Science 5.3 (2012) 6047-6051. DOI

2011

Jain, Anubhav, Geoffroy Hautier, Shyue P Ong, Charles J Moore, Christopher C Fischer, Kristin A Persson, and Gerbrand Ceder."Formation enthalpies by mixing GGA and GGA+ U calculations."Physical Review B 84.4 (2011). DOI
Jain, Anubhav, Geoffroy Hautier, Charles J Moore, Shyue P Ong, Christopher C Fischer, Tim Mueller, Kristin A Persson, and Gerbrand Ceder."A high-throughput infrastructure for density functional theory calculations."Computational Materials Science 50 (2011) 2295-2310. DOI

2010

Persson, Kristin A, Yoyo Hinuma, Ying Shirley Meng, Anton Van der Ven, and Gerbrand Ceder."Thermodynamic and kinetic properties of the Li-graphite system from first-principles calculations."Physical Review B 82.12-15 (2010) 125416. DOI
Persson, Kristin A, Vijay A Sethuraman, Laurence J Hardwick, Yoyo Hinuma, Ying Shirley Meng, Anton Van der Ven, Venkat Srinivasan, Robert Kostecki, and Gerbrand Ceder."Lithium diffusion in graphitic carbon."The Journal of Physical Chemistry Letters 1.8 (2010) 1176-1180. DOI

2009

Tang, Lei, Byungchan Han, Kristin A Persson, Cody Friesen, Ting He, Karl Sieradzki, and Gerbrand Ceder."Electrochemical stability of nanometer-scale Pt particles in acidic environments."Journal of the American Chemical Society 132.2 (2009) 596-600. DOI
Doe, Robert E, Kristin A Persson, Geoffroy Hautier, and Gerbrand Ceder."First Principles Study of the Li-BiF Phase Diagram and Bismuth Fluoride Conversion Reactions with Lithium."Electrochemical and Solid State Letters 12.7 (2009) A125-A128. DOI

2008

Bi, Lei, Alexander R Taussig, Hyun-Suk Kim, Lei Wang, Gerald F Dionne, D Bono, Kristin A Persson, Gerbrand Ceder, and Caroline A Ross."Structural, magnetic, and optical properties of BiFeO3 and Bi2FeMnO6 epitaxial thin films: An experimental and first-principles study."Physical Review B 78 (2008) 104106. DOI
Sivakumar, V, Caroline A Ross, N Yabuuchi, Yang Shao-Horn, Kristin A Persson, and Gerbrand Ceder."Electrochemical Control of the Magnetic Moment of CrO2."Journal of The Electrochemical Society 155 (2008) P83-P88.
Doe, Robert E, Kristin A Persson, Ying Shirley Meng, and Gerbrand Ceder."First-Principles Investigation of the Li-Fe-F Phase Diagram and Equilibrium and Nonequilibrium Conversion Reactions of Iron Fluorides with Lithium."Chemistry of Materials 20.16 (2008) 5274-5283. DOI
Predith, A, Gerbrand Ceder, Chris Wolverton, Kristin A Persson, and Tim Mueller."Ab initio prediction of ordered ground-state structures in ZrO2-Y2O3."Physical Review B 77 (2008). DOI
Bengtson, Amelia, Kristin A Persson, and Dane Morgan."Ab initio study of the composition dependence of the pressure-induced spin crossover in perovskite (Mg1-x,Fex)SiO3."Earth and Planetary Science Letters 265 (2008) 535-545.

2007

Gallardo-Amores, Jose M, Neven Biskup, Ulises Amador, Kristin A Persson, Gerbrand Ceder, and M. M Elena Arroyo y de Dompablo."Computational and Experimental Investigation of the Transformation of V2O5 Under Pressure."Chemistry of Materials 19 (2007) 5262-5271. DOI

2006

Persson, Kristin A, Amelia Bengtson, Gerbrand Ceder, and Dane Morgan."Ab initio study of the composition dependence of the pressure-induced spin transition in the (Mg1-x,Fex)O system."Geophysical Research Letters 33 (2006).
Persson, Kristin A, Gerbrand Ceder, and Dane Morgan."Spin transitions in the FexMn1-xS2 system."Physical Review B 73 (2006).

2003

Curtarolo, Stefano, Dane Morgan, Kristin A Persson, John Rodgers, and Gerbrand Ceder."Predicting Crystal Structures with Data Mining of Quantum Calculations."Physical Review Letters 91 (2003).

2000

Ekman, Mathias, Kristin A Persson, and Goran Grimvall."Lattice dynamics and thermodynamic properties of the B-Sn phase in Si."Physical Review B 62 (2000) 14784-14789.
Persson, Kristin A, Mathias Ekman, and Vidvuds Ozoliņš."Phonon instabilities in bcc Sc, Ti, La, and Hf."Physical Review B 61 (2000) 11221-11224.
Ekman, Mathias, Kristin A Persson, and Goran Grimvall."Phase diagram and lattice instability in tungsten-rhenium alloys."Journal of Nuclear Materials 278 (2000) 273-276.

1999

Persson, Kristin A, Mathias Ekman, and Goran Grimvall."Dynamical and thermodynamical instabilities in the disordered RexW1-x system."Physical Review B 60 (1999) 9999-10007.