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Datasets in Collection (sorted by Submit Date in Descending order): 1 to 20 of 57
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Issue DateTitleAuthor(s)
18-May-2018Database-driven Materials-selection Framework for Semiconductor Heterojunction DesignShapera, Ethan P.; Schleife, André
15-May-2018Environmental Screening Effects in 2D Materials: Renormalization of the Bandgap, Electronic Structure, and Optical Spectra of Few-Layer Black PhosphorusQiu, Diana Y.; da Jornada, Felipe H.; Louie, Steven G.
10-May-2018Orbital Symmetry and the Optical Response of Single-Layer MX MonochalcogenidesAntonius, Gabriel; Qiu, Diana Y.; Louie, Steven G.
22-Mar-2018Phase Field Benchmark II DatasetJokisaari, Andrea; Voorhees, Peter; Guyer, Jonathan; Warren, James; Heinonen, Olle
6-Apr-2018QMC Data sets for Benchmarks and Reliable DFT Results for Spin Gaps of Small Ligand Fe(II) ComplexesSong, Suhwan; Kim, Min-Cheol; Sim, Eunji; Benali, Anouar; Heinonen, Olle; Burke, Kieron
27-Apr-2018High and low thermal conductivity of amorphous macromoleculesXie, Xu; Yang, Kexin; Li, Dongyao; Tsai, Tsung-Han; Shin, Jungwoo; Braun, Paul V.; Cahill, David G.
25-Apr-2018Dataset for A Variational Approach to Optical Band GapsZhao, Luning; Neuscamman, Eric
18-Apr-2018Vacancy Mediated and Interstitial Solute Transport in Zr from Density Functional Theory CalculationsJain, Abhinav C. P.; Burr, Patrick A.; Trinkle, Dallas R.
18-Apr-2018Phase Behavior and Salt Partitioning in Polyelectrolyte Complex CoacervatesLi, Lu; Srivastava, Samanvaya; Andreev, Marat; Marciel, Amanda B.; de Pablo, Juan J.; Tirrell, Matthew V.
13-Apr-2018GISAXS Data for Polymer Thin Films and GratingsDolejsi, Moshe; Bowen, Alec; de Pablo, Juan; Nealey, Paul
9-Apr-2018A Machine Learning Approach for Engineering Bulk Metallic Glass AlloysWard, Logan; O’Keeffe, Stephanie C.; Stevick, Joesph; Jelbert, Glenton R.; Aykol, Muratahan; Wolverton, Chris
29-Mar-2018Electronic Stopping and Proton Dynamics in InP, GaP, and In0.5Ga0.5P from First PrinciplesLee, Cheng-Wei; Schleife, André
19-Feb-2018Detection of Open Loop Defects in STEM Images of Irradiation-Damaged Alloys – Source Code for Detection and Image DatasetLi, Wei; Field, Kevin G.; Morgan, Dane
16-Feb-2018Accelerated Discovery of Metallic Glasses through Iteration of Machine Learning and High-Throughput ExperimentsFang, Ren; Ward, Logan; Williams, Travis; Laws, Kevin J.; Wolverton, Christopher; Hattrick-Simpers, Jason; Mehta, Apurva
25-Jan-2018BerkeleyGW 2018 Workshop Examplesda Jornada, Felipe H.; Deslippe, Jack; Strubbe, David A.; Vigil-Fowler, Derek; Qiu, Diana Y.; Antonius, Gabriel; del Ben, Mauro; Louie, Steven G.
21-Jan-2018The Third Sandia Fracture ChallengeKramer, Sharlotte; Boyce, Brad; Jones, Amanda; Gearhart, Jhana; Salzbrenner, Brad
9-Jan-2018Spatially Heterogeneous Dynamics in a Metallic Glass Forming Liquid Imaged by Electron Correlation MicroscopyZhang, Pei; Maldonis, Jason; Liu, Ze; Schroers, Jan; Voyles, Paul
12-Dec-2017Dataset for Electronic properties of doped and defective NiO -- a Quantum Monte Carlo studyShin, Hyeondeok; Luo, Ye; Ganesh, Panchapakesan; Balachandran, Janakiraman; Krogel, Jaron T.; Kent, Paul R. C.; Benali, Anouar; Heinonen, Olle
25-Sep-2017Dataset for Nature of Interlayer Binding and Stacking of sp–sp2 Hybridized Carbon Layers: A Quantum Monte Carlo StudyShin, Hyeondeok; Kim, Jeongnim; Lee, Hoonkyung; Heinonen, Olle; Benali, Anouar; Kwon, Yongkyung
17-Dec-2017Dataset for Non-equilibrium BN-ZnO: Optical properties and excitonic effects from first principlesZhang, Xiao; Schleife, André
Datasets in Collection (sorted by Submit Date in Descending order): 1 to 20 of 57
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