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Large language models (LLMs) are increasingly applied to materials science questions, including literature comprehension, property prediction, materials discovery and alloy design. At the same time, a wide range of physics-based…

Materials Science · Physics 2025-12-17 Siyu Liu , Bo Hu , Beilin Ye , Jiamin Xu , David J. Srolovitz , Tongqi Wen

Accurate and efficient prediction of electronic wavefunctions is central to ab initio molecular dynamics (AIMD) and electronic structure theory. However, conventional ab initio methods require self-consistent optimization of electronic…

Chemical Physics · Physics 2025-11-12 Yanxian Tao , Lingyun Wan , Xiongzhi Zeng , Yingdi Jin , Jie Liu , Zhenyu Li , Jinlong Yang

While Quantum Machine Learning (QML) holds great potential, its practical realization on Noisy Intermediate-Scale Quantum (NISQ) hardware has been hindered by the limitations of variational quantum circuits (VQCs). Recent evidence suggests…

Amorphous solids form an enormous and underutilized class of materials. In order to drive the discovery of new useful amorphous materials further we need to achieve a closer convergence between computational and experimental methods. In…

Disordered Systems and Neural Networks · Physics 2024-11-19 Ata Madanchi , Emna Azek , Karim Zongo , Laurent K. Béland , Normand Mousseau , Lena Simine

In this report, we present a series of math-specific large language models: Qwen2.5-Math and Qwen2.5-Math-Instruct-1.5B/7B/72B. The core innovation of the Qwen2.5 series lies in integrating the philosophy of self-improvement throughout the…

In the NISQ (Noisy intermediate-scale quantum) area, Quantum computers can be utilized for deep learning by treating variational quantum circuits as neural network models. This can be achieved by first encoding the input data onto quantum…

High Energy Physics - Phenomenology · Physics 2023-11-29 A. Hammad , Kyoungchul Kong , Myeonghun Park , Soyoung Shim

Knowledge of quantum mechanical systems is becoming more important for many science and engineering students who are looking to join the emerging quantum workforce. To better prepare a wide range of students for these careers, we must seek…

Quantum metrology plays a fundamental role in many scientific areas. However, the complexity of engineering entangled probes and the external noise raise technological barriers for realizing the expected precision of the to-be-estimated…

Quantum Physics · Physics 2021-01-21 Xiaodong Yang , Xi Chen , Jun Li , Xinhua Peng , Raymond Laflamme

Artificial Intelligence (AI) has been advancing rapidly and with the advent of large language models (LLMs) in late 2022, numerous opportunities have emerged for adopting this technology across various domains, including medicine. These…

Computers and Society · Computer Science 2026-03-10 Amr Alshatnawi , Remi Sampaleanu , David Liebovitz

Large Language Model (LLM) tools have demonstrated their potential to deliver high-quality assistance by providing instant, personalized feedback that is crucial for effective programming education. However, many of these tools operate…

Human-Computer Interaction · Computer Science 2025-04-08 Huiyong Li , Boxuan Ma

Neuromorphic devices, leveraging novel physical phenomena, offer a promising path toward energy-efficient hardware beyond CMOS technology by emulating brain-inspired computation. However, their progress is often limited to proof-of-concept…

Applied Physics · Physics 2025-04-02 Sai Li , Linliang Chen , Yihao Zhang , Zhongkui Zhang , Ao Du , Biao Pan , Zhaohao Wang , Lianggong Wen , Weisheng Zhao

This paper presents our system for Track 1: Mistake Identification in the BEA 2025 Shared Task on Pedagogical Ability Assessment of AI-powered Tutors. The task involves evaluating whether a tutor's response correctly identifies a mistake in…

Computation and Language · Computer Science 2025-06-13 Numaan Naeem , Sarfraz Ahmad , Momina Ahsan , Hasan Iqbal

Independent learners often struggle with sustaining focus and emotional regulation in unstructured or distracting settings. Although some rely on ambient aids such as music, ASMR, or visual backgrounds to support concentration, these tools…

Artificial Intelligence · Computer Science 2025-05-07 George Xi Wang , Jingying Deng , Safinah Ali

Classroom AI is rapidly expanding from low-level perception toward higher-level judgments about engagement, confusion, collaboration, and instructional quality. Yet classrooms are among the hardest real-world settings for multimodal vision:…

Artificial Intelligence · Computer Science 2026-03-25 Sina Bagheri Nezhad

Metal-organic frameworks (MOFs) offer a vast design space, and as such, computational simulations play a critical role in predicting their structural and physicochemical properties. However, MOF simulations remain difficult to access…

Artificial Intelligence · Computer Science 2026-04-01 Jaewoong Lee , Taeun Bae , Jihan Kim

We introduce QMBench, a comprehensive benchmark designed to evaluate the capability of large language model agents in quantum materials research. This specialized benchmark assesses the model's ability to apply condensed matter physics…

Educational simulations have long been recognized as powerful tools for enhancing learning outcomes, yet their creation has traditionally required substantial resources and technical expertise. This paper introduces MicroSims a novel…

Artificial Intelligence · Computer Science 2025-11-26 Valerie Lockhart , Dan McCreary , Troy A. Peterson

The integration of Artificial Intelligence (AI), particularly Large Language Model (LLM)-based systems, in education has shown promise in enhancing teaching and learning experiences. However, the advent of Multimodal Large Language Models…

Facilitating productive mathematical argumentation, especially asking rational questions, is essential yet remains challenging for pre-service mathematics teachers (PMTs), who often have limited opportunities to apply abstract theoretical…

Human-Computer Interaction · Computer Science 2026-04-27 Jiwon Chun , Yuling Zhuang , Armanto Sutedjo , Colin Xu , Rong Ren , Meng Xia

Structure determination by chemical-shift-driven NMR crystallography relies on comparing chemical shieldings measured in solid-state NMR experiments with simulations. However, computational cost limits the accuracy of shielding predictions,…

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