The journal of physical chemistry letters
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This article is published in Journal of Physical Chemistry B.The article was published on 2009-07-16 and is currently open access. It has received 465 citations till now.read more
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Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis
Shyue Ping Ong,William D. Richards,Anubhav Jain,Geoffroy Hautier,Michael Kocher,Shreyas Cholia,Dan Gunter,Vincent Chevrier,Kristin A. Persson,Gerbrand Ceder +9 more
TL;DR: The pymatgen library as mentioned in this paper is an open-source Python library for materials analysis that provides a well-tested set of structure and thermodynamic analyses relevant to many applications, and an open platform for researchers to collaboratively develop sophisticated analyses of materials data obtained both from first principles calculations and experiments.
Journal ArticleDOI
Perspective on density functional theory
TL;DR: This perspective reviews some recent progress and ongoing challenges in density functional theory.
Journal ArticleDOI
Strong coupling between surface plasmon polaritons and emitters: a review
TL;DR: This review looks at the concepts and state-of-the-art concerning the strong coupling of surface plasmon-polariton modes to states associated with quantum emitters such as excitons in J-aggregates, dye molecules and quantum dots.
Journal ArticleDOI
Cesium Lead Halide Perovskites with Improved Stability for Tandem Solar Cells
Rachel E. Beal,Daniel J. Slotcavage,Tomas Leijtens,Andrea R. Bowring,Rebecca A. Belisle,William H. Nguyen,George F. Burkhard,Eric T. Hoke,Michael D. McGehee +8 more
TL;DR: A semiconductor that can be processed on a large scale with a bandgap around 1.8 eV could enable the manufacture of highly efficient low cost double-junction solar cells on crystalline Si.
Journal ArticleDOI
Scalable Quantum Simulation of Molecular Energies
Peter O'Malley,Ryan Babbush,Ian D. Kivlichan,Jonathan Romero,Jarrod R. McClean,Rami Barends,Julian Kelly,Pedram Roushan,Andrew Tranter,Andrew Tranter,Nan Ding,Brooks Campbell,Yu Chen,Zijun Chen,Ben Chiaro,Andrew Dunsworth,Austin G. Fowler,Evan Jeffrey,Anthony Megrant,Josh Mutus,Charles Neil,Chris Quintana,Daniel Sank,Ted White,James Wenner,Amit Vainsencher,Peter V. Coveney,Peter J. Love,Hartmut Neven,Alán Aspuru-Guzik,John M. Martinis,John M. Martinis +31 more
TL;DR: In this paper, the first electronic structure calculation performed on a quantum computer without exponentially costly precompilation is reported, where a programmable array of superconducting qubits is used to compute the energy surface of molecular hydrogen using two distinct quantum algorithms.
References
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Journal ArticleDOI
Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis
Shyue Ping Ong,William D. Richards,Anubhav Jain,Geoffroy Hautier,Michael Kocher,Shreyas Cholia,Dan Gunter,Vincent Chevrier,Kristin A. Persson,Gerbrand Ceder +9 more
TL;DR: The pymatgen library as mentioned in this paper is an open-source Python library for materials analysis that provides a well-tested set of structure and thermodynamic analyses relevant to many applications, and an open platform for researchers to collaboratively develop sophisticated analyses of materials data obtained both from first principles calculations and experiments.
Journal ArticleDOI
Perspective on density functional theory
TL;DR: This perspective reviews some recent progress and ongoing challenges in density functional theory.
Journal ArticleDOI
Strong coupling between surface plasmon polaritons and emitters: a review
TL;DR: This review looks at the concepts and state-of-the-art concerning the strong coupling of surface plasmon-polariton modes to states associated with quantum emitters such as excitons in J-aggregates, dye molecules and quantum dots.
Journal ArticleDOI
Cesium Lead Halide Perovskites with Improved Stability for Tandem Solar Cells
Rachel E. Beal,Daniel J. Slotcavage,Tomas Leijtens,Andrea R. Bowring,Rebecca A. Belisle,William H. Nguyen,George F. Burkhard,Eric T. Hoke,Michael D. McGehee +8 more
TL;DR: A semiconductor that can be processed on a large scale with a bandgap around 1.8 eV could enable the manufacture of highly efficient low cost double-junction solar cells on crystalline Si.
Journal ArticleDOI
Scalable Quantum Simulation of Molecular Energies
Peter O'Malley,Ryan Babbush,Ian D. Kivlichan,Jonathan Romero,Jarrod R. McClean,Rami Barends,Julian Kelly,Pedram Roushan,Andrew Tranter,Andrew Tranter,Nan Ding,Brooks Campbell,Yu Chen,Zijun Chen,Ben Chiaro,Andrew Dunsworth,Austin G. Fowler,Evan Jeffrey,Anthony Megrant,Josh Mutus,Charles Neil,Chris Quintana,Daniel Sank,Ted White,James Wenner,Amit Vainsencher,Peter V. Coveney,Peter J. Love,Hartmut Neven,Alán Aspuru-Guzik,John M. Martinis,John M. Martinis +31 more
TL;DR: In this paper, the first electronic structure calculation performed on a quantum computer without exponentially costly precompilation is reported, where a programmable array of superconducting qubits is used to compute the energy surface of molecular hydrogen using two distinct quantum algorithms.