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62 papers · 1 filter
Exciton Bimolecular Annihilation Dynamics in Push-Pull Semiconductor Polymers
Yulong Zheng, Rahul Venkatesh, Esteban Rojas-Gatjens +2
Exciton-exciton annihilation is a ubiquitous nonlinear dynamical phenomenon in materials hosting Frenkel excitons, that has been employed to probe exciton diffusion processes in co…
Automated Grain Boundary Detection for Bright-Field Transmission Electron Microscopy Images via U-Net
Matthew J. Patrick, James K. Eckstein, Javier R. Lopez +6
Quantification of microstructures is crucial for understanding processing-structure and structure-property relationships in polycrystalline materials. Delineating grain boundaries…
Mechanical properties of cubic boron nitride and diamond at dynamical pressure and temperature
Srihari M. Kastuar, Zhong-Li Liu, Sina Najmaei +1
We report the mechanical properties of cubic boron nitride (c-BN) and diamond under the combined impact of dynamical pressure and temperature, calculated using ab initio molecular…
Deep Neural Operator Enabled Concurrent Multitask Design for Multifunctional Metamaterials under Heterogeneous Fields
Doksoo Lee, Lu Zhang, Yue Yu +1
Multifunctional metamaterials (MMM) bear promise as next-generation material platforms supporting miniaturization and customization. Despite many proof-of-concept demonstrations an…
Mean curvature flow with multiplicity 2 convergence in
Jingwen Chen, Ao Sun
We construct a new example of an immortal mean curvature flow of smooth embedded connected surfaces in , which converges to a plane with multiplicity as time appro…
Unleashed from Constrained Optimization: Quantum Computing for Quantum Chemistry Employing Generator Coordinate Inspired Method
Muqing Zheng, Bo Peng, Ang Li +2
Hybrid quantum-classical approaches offer potential solutions to quantum chemistry problems, yet they often manifest as constrained optimization problems. Here, we explore the inte…