"ASCR Discovery" story features work involving HybriD3
August 8, 2019
An ASCR Discovery story features DoE INCITE computational materials research on hybrid organic-inorganic systems, including scientists and research results from the HybriD3 team.
Chi (Garnett) Liu Successfully Defends His Dissertation!
June 19, 2019
Congratulations to Chi (Garnett) Liu, Duke University, Chemistry Department, who successfully defended his dissertation "Tunable Electronic Excitations in Hybrid Organic-Inorganic Materials: Ground-state and Perturbation Approaches".
Recent Published Paper in ACS Materials Letter!
June 5, 2019
Congratulations! An article "Aryl-Perfluoroaryl Interaction in Two-Dimensional Organic–Inorganic Hybrid Perovskites Boosts Stability and Photovoltaic Efficiency” by Jun Hu, Iain W. H. Oswald, Huamin Hu, Samuel J. Stuard, Masrur Morshed Nahid, Liang Yan, Zheng Chen, Harald Ade, James R.
Newly Accepted Paper in Materials Horizons!
May 16, 2019
Our recent work on tunable 2D oligomer-based hybrid perovskite films deposited using resonant infrared matrix-assisted pulsed laser evaporation ( [...]
A New Paper in Chemistry of Materials!
May 10, 2019
Congratulations on a newly published paper "Defect Passivation by Fullerene Derivative in Perovskite Solar Cells with Aluminum-Doped Zinc Oxide as Electron Transporting Layer" by Qi Dong, Carr Hoi Yi Ho, Hyeonggeun Yu, Amin [...]
New JACS Paper!
April 23, 2019
We're happy to announce a new paper on a new, lead-free, iodide-based 2D organic-inorganic semiconductor: "Direct-Bandgap 2D Silver–Bismuth Iodide Double Perovskite: The Structure-Directing Influence of an Oligothiophene Spacer Cation” by Manoj K. Jana, Svenja M. Janke, David J.
New Paper in Nature Communications!
March 20, 2019
Congratulations! An article “Synthetic control over orientational degeneracy of spacer cations enhances solar cell efficiency in two-dimensional perovskites” by Jun Hu, Iain W. H. Oswald, Samuel J. Stuard, Masrur Morshed Nahid, Ninghao Zhou, Olivia F.
Bringing Computational Tools to Young Scientists
December 4, 2018
An article by Chiung-Wei Huang on the "HybriD3 Theory Training Workshop", co-organized by Volker Blum, Yosuke Kanai, and their groups, and held at Duke University in September, is available in the "Frontiers in Energy Research" [...]
Supercomputer Predicts Optical and Thermal Properties of Complex Hybrid Materials
October 8, 2018
HybriD^3 Theory Training Workshop, September 28-29, 2018
September 12, 2018
We are holding a training workshop that introduces students and other early-career scientists to theory and practical applications of atomistic modeling techniques in materials science, chemistry, and condensed matter physics, particularly first-principles electronic structure calculations, [...]
Speeding Up Discoveries of Organic and Organic-Inorganic Materials by Electronic Structure Theory
May 17, 2018
Hybrid3 is launched!
October 1, 2017
The Hybrid3 team is proud to kick off a new effort focused on mapping out the space of hybrid organic-inorganic semiconductors, particularly perovskites.