From the 8 of 321 papers with an AI index.
266 citations
- SLAC National Accelerator LaboratoryUS80 papers
- University of ChicagoUS63 papers
- University College LondonGB46 papers
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- Centre National de la Recherche ScientifiqueFR44 papers
- University of California SystemUS44 papers
- University of CambridgeGB43 papers
- University of MichiganUS43 papers
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- Université Paris-SaclayFR42 papers
- Institució Catalana de Recerca i Estudis AvançatsES41 papers
13 papers · 1 filter
Molecular reference corrections for quantum Monte Carlo adsorption energies
Roman Fanta, Michal Bajdich
Accurate surface thermochemistry requires balanced error cancellation between extended slabs and molecular reference states. This balance can fail whenever the electronic-structure…
Reconfigurable Strain Gradient Polarity in Crystalline Oxide Nanomembranes for Controlled Bending of Functional Materials
Tiffany C. Wang, Minyong Han, Varun Harbola +1
We report the fabrication and mechanical characterization of a "bubble" geometry for accessing local strain gradients using freestanding, single-crystalline manganite nanomembranes…
Scaling Nanoribbon Transistors with Monolayer Transition Metal Dichalcogenides
Tara Peña, Anton E. O. Persson, Andrey Krayev +13
Nanoscale transistors require aggressive reduction of all channel dimensions: length, width, and thickness. While monolayer two-dimensional semiconductors (2DS) offer ultimate thic…
Crystallographic Challenges in Microscopy of Multidomain Spinel Materials
Ninon Scherz, Shashwat Anand, Colin Ophus +4
Electron microscopy techniques are instrumental in the characterization of energy storage materials, with atomic resolution images providing the detailed structural features that a…
Intrinsic structure of relaxor ferroelectrics from first principles
Xinyu Xu, Kehan Cai, Yubai Shi +2
We develop FIRE-Swap, a first-principles framework for sampling intrinsic compositional structures in complex perovskites with machine-learning interatomic potentials (MLIPs). Usin…
Plasmonic polaron in self-intercalated 1T-TiS2
Byoung Ki Choi, Woojin Choi, Zhiyu Tao +24
Electron-boson coupling is central to a comprehensive understanding of the diverse physical phenomena emerging from many-body interactions. Yet less attention has been paid to how…