6 papers
Scalable learning of macroscopic stochastic dynamics
Mengyi Chen, Pengru Huang, Kostya S. Novoselov +1
Macroscopic dynamical descriptions of complex physical systems are crucial for understanding and controlling material behavior. With the growing availability of data and compute, m…
Probing the features of electron dispersion by tunneling between slightly twisted bilayer graphene sheets
Alexey A. Sokolik, Azat F. Aminov, Evgenii E. Vdovin +6
Tunneling conductance between two bilayer graphene (BLG) sheets separated by 2 nm-thick insulating barrier was measured in two devices with the twist angles between BLGs less than…
Modeling crystal defects using defect-informed neural networks
Ziduo Yang, Xiaoqing Liu, Xiuying Zhang +3
Most AI-for-Materials research to date has focused on ideal crystals, whereas real-world materials inevitably contain defects that play a critical role in modern functional technol…
Dynamics of single Au nanoparticles on graphene simultaneously in real- and diffraction space by time-series convergent beam electron diffraction
Sara Mustafi, Rongsheng Cai, Sam Sullivan-Allsop +7
Convergent beam electron diffraction (CBED) on two-dimensional materials allows simultaneous recording of the real-space image (tens of nanometers in size) and diffraction pattern…
Limiting performance of graphene bilayer sub-terahertz detectors at large induced band gap
Elena I. Titova, Mikhail A. Kashchenko, Andrey V. Miakonkikh +8
Electrically induced junctions in graphene bilayer (GBL) have shown superior performance for detection of sub-THz radiation at cryogenic temperatures, especially upon electri…
Diagonalization without Diagonalization: A Direct Optimization Approach for Solid-State Density Functional Theory
Tianbo Li, Min Lin, Stephen Dale +4
We present a novel approach to address the challenges of variable occupation numbers in direct optimization of density functional theory (DFT). By parameterizing both the eigenfunc…