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| 1 | An efficient and accurate framework for calculating lattice thermal conductivity of solids:AFLOW-AAPL Automatic Anharmonic Phonon Library显示文摘One of the most accurate approaches for calculating lattice thermal conductivity,κ_(l),is solving the Boltzmann transport equation starting from third-order anharmonic force constants.In addition to the underlying approximations of ab-initio parameterization,two main challenges are associated with this path:high computational costs and lack of automation in the frameworks using this methodology,which affect the discovery rate of novel materials with ad-hoc properties.Here,the Automatic Anharmonic Phonon Library(AAPL)is presented.It efficiently computes interatomic force constants by making effective use of crystal symmetry analysis,it solves the Boltzmann transport equation to obtain κ_(l),and allows a fully integrated operation with minimum user intervention,a rational addition to the current high-throughput accelerated materials development framework AFLOW.An“experiment vs.theory”study of the approach is shown,comparing accuracy and speed with respect to other available packages,and for materials characterized by strong electron localization and correlation.Combining AAPL with the pseudo-hybrid functional ACBN0 is possible to improve accuracy without increasing computational requirements. | Jose J.Plata Pinku Nath Demet Usanmaz Jesus Carrete Cormac Toher Maarten de Jong Mark Asta Marco Fornari Marco Buongiorno Nardelli Stefano Curtarolo | 2017 | npj Computational Materials2017，，1： | 5 |
| 2 | MRI of medulloblastoma in adults显示文摘 | Malheiros SM Carrete H Jr Stavale JN | 2003 | Neuroradiology2003，45，7： | 1 |
| 3 | Is ventilator-associated pneumonia an independent risk factor for death显示文摘 | Bregeon F Ciais V Carret V | 2001 | Anesthesiology2001，8，94： | 1 |
| 4 | Sir2 paralogues cooperate to regulate virulence genes and antigenic variation in Plasmodiumfalciparum显示文摘 | Tonkin CJ Carret CK Duraisingh MT | 2009 | PLoS Biol2009，7，4： | 1 |
| 5 | Temporal pole signal abnormality on MR imaging in temporal lobe epilepsy with hippocampal sclerosis: a fluid-attenuated inversionrecov- ery study 显示文摘 | Carrete H Abdala N Lin K et 01 | 2007 | Arq Neuropsiquiatr2007，65，3： | 1 |
| 6 | Characterization of the LTR retrotransposon repertoire of a plant clade of six diploid and one tetraploid species显示文摘 | PIEDNOEL M CARRETE VEGA G RENNER S S | | 0，，04： | 1 |
| 7 | Hip squeaking:a 10-year fol ow-up study显示文摘 | Chevil otte C Pibarot V Carret JP | | 0，，06： | 1 |
| 8 | Sir2 paralogues co- operate to regulate virulence genes and antigenic variation in Plasmodiumfalciparum显示文摘 | Tonkin CJ Carret CK Duraisingh MT | 2009 | PLoS Biol2009，7，4： | 1 |
| 9 | Surgical treatment of acetabular fractures: outcome in a series of 60 consecutive cases显示文摘 | GLAS P Y FESSY M H CARRET J P | 2001 | Rev Chir Orthop Reparatrice Appar Mot2001，87，： | 1 |
| 10 | Morphometry of the talocrural joint 显示文摘 | Fessy MH Carret JP Bejui J | 1997 | Surg Radiologic Anatomy : SRA1997，19，5： | 1 |
| 11 | Highly sensitive photopolymerizable dry film for use in real time holography 显示文摘 | BLAYA S MALLAVIA R CARRETER L | 1998 | A P L1998，37，12： | 1 |
| 12 | Surgical treatment of acetabular fractures :outcome in a series of 60 consecutive cases 显示文摘 | Glas PY Fessy MH Carret JP | 2001 | Rev Chir Orthop Reparatrice Appar Mot2001，87，6： | 1 |
| 13 | Low Thermal Conductivity and Triaxial Phononic Anisotropy of Sn Se显示文摘 | Carrete J Mingo N Curtarolo S | 2014 | Applied Physics Letters2014，105，10： | 1 |
| 14 | 2008, The PHA test reflects ac- quired T-cell mediated immunocompetenee in birds 显示文摘 | Tella JL Lemus JA Carrete M | 2008 | PLoS One2008，3，9： | 1 |
| 15 | In vitro activity of antimicrobial 10 antimicrobial agents against bacteria isolated from cows with clincalmastitis 显示文摘 | Gurin-Faublee V Carret G Houffschmit | 2003 | The Veterinary Record2003，152，： | 1 |
| 16 | Early destructive lesions in the developing brain:clinical and electrographic correlates显示文摘 | low C Garzon E Jr Carrete H | 2007 | Arq Neuropsiquiatr2007，65，2： | 1 |
| 17 | Babesia canis canis,Babesia canis vogeli,Babesia canis rossi:differentiation of the three subspecies by a restriction fragment length poly- morphism analysis on amplified small subunit ribosomal RNA genes显示文摘 | Carret C Walas F Carcy B | 1994 | Eukaryot Microbiology1994，46，3： | 1 |
| 18 | Babesia canis canis, Babesia canis vogeli, Babesia canis rossi: differentiation of the three sub- species by a restriction fragment length polymorphism analysis on amplified small subunit ribosomal RNA genes显示文摘 | Carret C Walas F Carey B et ol | 1999 | J Eukaryot Mi- crobiol1999，46，3： | 1 |
| 19 | Effects of HabitatDegradation on the Abundance,Richness and Diversity of RaptorsAcross Neotropical Biomes显示文摘 | CARRETE M TELLA J L BLANCO G | 2009 | Biological Conservation2009，142，10： | 1 |
| 20 | Ab initio study of 3d,4d,and 5d transition metal adatoms and dimers adsorbed on hydrogen-passivated zigzag graphene nanoribbons显示文摘 | Longo R C Carrete J Gallego L J | | 0，，： | 1 |
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