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Results 1-10 of 37
Issue DateTitleAuthor(s)
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.
21-Jan-2018The Third Sandia Fracture ChallengeKramer, Sharlotte; Boyce, Brad; Jones, Amanda; Gearhart, Jhana; Salzbrenner, Brad
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.
22-Mar-2018Phase Field Benchmark II DatasetJokisaari, Andrea; Voorhees, Peter; Guyer, Jonathan; Warren, James; Heinonen, Olle
18-May-2018Database-driven Materials-selection Framework for Semiconductor Heterojunction DesignShapera, Ethan P.; Schleife, André
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
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
21-Jun-2018Dataset for "Quantum Monte Carlo calculations of catalytic energy barriers in a metallorganic framework with transition-metal functionalized nodes"Benali, Anouar; Luo, Ye; Shin, Hyeondeok; Pahls, Dale; Heinonen, Olle
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
10-May-2018Orbital Symmetry and the Optical Response of Single-Layer MX MonochalcogenidesAntonius, Gabriel; Qiu, Diana Y.; Louie, Steven G.