120 citations · 283 across the 8 of their papers we have counts for
8 papers
Optimizing Expert-Designed Crystal Graph Networks for Band-Gap Prediction with an Autonomous LLM Research Loop
Chenmu Zhang, Boris I. Yakobson
Predicting a material's properties from its structure is a central, fast-advancing problem in computational materials science. A decade of work has produced standard public benchma…
MatClaw: An Autonomous Code-First LLM Agent for End-to-End Materials Exploration
Chenmu Zhang, Boris I. Yakobson
Existing LLM agents for computational materials science are constrained by pipeline-bounded architectures tied to specific simulation codes and by dependence on manually written to…
Two-dimensional Semiconductor Computational Carrier Mobility Genome
Chenmu Zhang, Yuanyue Liu
Two-dimensional (2D) crystalline semiconductors hold promise for next-generation electronic devices due to its atomical thickness and consequent properties. Despite years of search…
Enhancing Carrier Mobility by Remote Phonons
Chenmu Zhang, Yuanyue Liu
Remote phonons from dielectrics are generally believed to degrade carrier mobility in adjacent semiconductors through Fröhlich scattering of polar-optical phonons (POPs). Here, we…
Discovering and Understanding 2D Semiconductors with High Intrinsic Carrier Mobility at Room Temperature
Chenmu Zhang, Ruoyu Wang, Himani Mishra +1
Two-dimensional (2D) semiconductors have demonstrated great potential for next-generation electronics and optoelectronics. However, the current 2D semiconductors suffer from intrin…
Phonon-limited Mobility of 2D Semiconductors: Quadrupole Scattering and Free-carrier Screening
Chenmu Zhang, Yuanyue Liu
Two-dimensional (2D) semiconductors have demonstrated great potential for next-generation electronics and optoelectronics. An important property for these applications is the phono…
Understanding High-Field Electron Transport Properties of Monolayer Transition Metal Dichalcogenides and Strain Effects
Chenmu Zhang, Long Cheng, Yuanyue Liu
Monolayer transition metal dichalcogenides (MX2) are promising candidates for future electronics. Although the transport properties (e.g. mobility) at low electric field have been…
Why Two-Dimensional Semiconductors Generally Have Low Electron Mobility
Long Cheng, Chenmu Zhang, Yuanyue Liu
Atomically thin (two-dimensional, 2D) semiconductors have shown great potential as the fundamental building blocks for next-generation electronics. However, all the 2D semiconducto…