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Systematic Improvement of DMC Calculations in Transition Metal Oxides: sCI-Driven Wavefunction Optimization for Reliable Band Gaps

Shin, Hyeondeok; Gasperich, Kevin; Rojas, Tomas; Ngo, Anh T.; Krogel, Jaron T.; Benali, Anouar
DOI: 10.18126/z20s-pg52
Year: 2024

Datasets for Correlation Effects on Electronic and Structural Properties of Doped Rare-Earth Trihydrides

Denchfield, Adam; Shin, Hyeondeok; Panchapakesan, Ganesh; Hemley, Russell J.; Park, Hyowon
DOI: 10.18126/3a3m-sm24
Year: 2024

An exhaustive mapping of zeolite-template chemical space

Mingrou, Xie; Daniel, Schwalbe-Koda; Yolanda M., Semanate-Esquivel; Estefanía, Bello-Jurado; Alexander, Hoffman; Omar, Santiago-Reyes; Cecilia, Paris; Manuel, Moliner; Rafael, Gómez-Bombarelli
DOI: 10.18126/trpy-er69
Year: 2024

A many-body characterization of the fundamental gap in monolayer CrI3

Staros, Daniel; Gasperich, Kevin; Annaberdiyev, Abdulgani; Benali, Anouar; Ganesh, Panchapakesan; Rubenstein, Brenda
DOI: 10.18126/rmxz-qv54
Year: 2024

Dataset for "A many-body characterization of the fundamental gap in monolayer CrI3"

Staros, Daniel; Gasperich, Kevin; Annaberdiyev, Abdulgani; Benali, Anouar; Ganesh, Panchapakesan; Rubenstein, Brenda
DOI: 10.18126/x1fk-8710
Year: 2024

Data for: A methodology for robust multislice ptychography

Gilgenbach, Colin; Chen, Xi; LeBeau, James M.
DOI: 10.18126/b2sj-nt57
Year: 2024

Faraday Cup Measurements of Triboelectrically Charged Granular Material: A Modular Interpretation Methodology

O'Hara, Tom F; Marsden, Gregory; Reid, David P.; Aplin, Karen L.
DOI: 10.18126/n3dx-dh16
Year: 2024

High-Throughput DFT data for screening of halide perovskite photocatalysts

Maitreyo Biswas, Arun Mannodi-Kanakkithodi
DOI: 10.18126/s5j2-a428
Year: 2024

Many-Body Enhancement of High-Harmonic Generation in Monolayer MoS2

ChangLee, Victor; Yue, Lun; Gaarde, Mette B.; Chan, Yang-hao; Qiu, Diana Y.
DOI: 10.18126/72ev-9181
Year: 2024