10 papers
Agentic AI for Scientific Reasoning in Autonomous Quantum Sensing Experiments
Takuya Isogawa, Ryotaro Okabe, Nutdech Phadetsuwannukun +2
We implement an agentic AI workflow built around a large language model (LLM) agent for autonomous experiments with nitrogen-vacancy (NV) centers in diamond. NV centers are a widel…
ATLAS: A Foundation Neural Sampler for Amorphous Materials
Mouyang Cheng, Denis Blessing, Botao Yu +4
Amorphous materials exhibit exceptional mechanical and functional properties, yet their rugged energy landscapes are notoriously difficult to sample. Below the glass-transition tem…
XRDiff: Crystal Structure Prediction from Powder X-Ray Diffraction Data Using Diffusion Models
Nofit Segal, Mingda Li, Benjamin Kurt Miller +1
Determining the crystal structure of a material from its powder X-ray diffraction (PXRD) pattern is a central challenge in materials science. PXRD is an accessible and widely used…
Universal Magnetic Structure Prediction from Atomic Coordinates with Near-Experimental Accuracy
Abhijatmedhi Chotrattanapituk, Ryotaro Okabe, Eunbi Rha +6
Magnetic order is a fundamental property of materials, governing collective behavior and enabling a broad range of functionalities. Yet magnetic structure remains difficult to dete…
Strain effect on optical properties and quantum weight of monolayer MnBiX (X = Te, Se, S)
Nguyen Tuan Hung, Vuong Van Thanh, Mingda Li +1
Manipulating the optical and quantum properties of two-dimensional (2D) materials through strain engineering is not only fundamentally interesting but also provides significant ben…
Tuning chiral anomaly signature in a Dirac semimetal via fast-ion implantation
Manasi Mandal, Eunbi Rha, Abhijatmedhi Chotrattanapituk +13
CdAs is a prototypical Dirac semimetal that hosts a chiral anomaly and thereby functions as a platform to test high-energy physics hypotheses and to realize energy efficien…