The reliability of hybrid functionals for accurate fundamental and optical gap prediction of bulk solids and surfaces

Kavli Affiliate: Jeffrey B. Neaton | First 5 Authors: Francisca Sagredo, María Camarasa-Gómez, Francesco Ricci, Aurélie Champagne, Leeor Kronik | Summary: Hybrid functionals have been considered insufficiently reliable for the prediction of band gaps in solids and surfaces. We revisit this issue with a new generation of optimally-tuned range-separated hybrid functionals, focusing on the reconstructed […]


Continue.. The reliability of hybrid functionals for accurate fundamental and optical gap prediction of bulk solids and surfaces

SPPO:Efficient Long-sequence LLM Training via Adaptive Sequence Pipeline Parallel Offloading

Kavli Affiliate: Wei Gao | First 5 Authors: Qiaoling Chen, Shenggui Li, Wei Gao, Peng Sun, Yonggang Wen | Summary: In recent years, Large Language Models (LLMs) have exhibited remarkable capabilities, driving advancements in real-world applications. However, training LLMs on increasingly long input sequences imposes significant challenges due to high GPU memory and computational demands. […]


Continue.. SPPO:Efficient Long-sequence LLM Training via Adaptive Sequence Pipeline Parallel Offloading

Why Does Your CoT Prompt (Not) Work? Theoretical Analysis of Prompt Space Complexity, its Interaction with Answer Space During CoT Reasoning with LLMs: A Recurrent Perspective

Kavli Affiliate: Xiang Zhang | First 5 Authors: Xiang Zhang, Juntai Cao, Jiaqi Wei, Chenyu You, Dujian Ding | Summary: Despite the remarkable successes of Large Language Models (LLMs), their fundamental Transformer architecture possesses inherent theoretical limitations that restrict their capability to handle reasoning tasks with increasing computational complexity. Chain-of-Thought (CoT) prompting has emerged as […]


Continue.. Why Does Your CoT Prompt (Not) Work? Theoretical Analysis of Prompt Space Complexity, its Interaction with Answer Space During CoT Reasoning with LLMs: A Recurrent Perspective

Superconductivity in tin telluride films grown by molecular beam epitaxy

Kavli Affiliate: David A. Muller | First 5 Authors: Antonio Gonzalez, Samuel J. Poage, Bernardo Langa, Jr., Deepak Sapkota, Salva Salmani-Rezaie | Summary: The intersection of superconductivity and ferroelectricity hosts a wide range of exotic quantum phenomena. Here, we report on the observation of superconductivity in high-quality tin telluride films grown by molecular beam epitaxy. […]


Continue.. Superconductivity in tin telluride films grown by molecular beam epitaxy

The dearth of high-mass hydrogen-atmosphere metal-polluted white dwarfs within 40 pc

Kavli Affiliate: David Charbonneau | First 5 Authors: Tim Cunningham, Pier-Emmanuel Tremblay, Mairi O’Brien, Evan B. Bauer, Mark A. Hollands | Summary: We present a population synthesis model which addresses the different mass distributions of the metal-polluted and non-metal-polluted hydrogen-atmosphere white dwarfs identified in volume-limited samples. Specifically, metal-pollution has been observed to be rare in […]


Continue.. The dearth of high-mass hydrogen-atmosphere metal-polluted white dwarfs within 40 pc

The role of effective mass and long-range interactions in the band-gap renormalization of photo-excited semiconductors

Kavli Affiliate: Scott K. Cushing | First 5 Authors: Cian C. Reeves, Scott K. Cushing, Vojtech Vlcek, , | Summary: Understanding how to control changes in electronic structure and related dynamical renormalizations by external driving fields is the key for understanding ultrafast spectroscopy and applications in electronics. Here we focus on the band-gap’s modulation by […]


Continue.. The role of effective mass and long-range interactions in the band-gap renormalization of photo-excited semiconductors

Optimal sensing on an asymmetric exceptional surface

Kavli Affiliate: Birgitta Whaley | First 5 Authors: Robert L. Cook, Liwen Ko, K. Birgitta Whaley, , | Summary: We study the connection between exceptional points (EPs) and optimal parameter estimation, in a simple system consisting of two counter-propagating traveling wave modes in a microring resonator. The unknown parameter to be estimated is the strength […]


Continue.. Optimal sensing on an asymmetric exceptional surface

Optimal sensing on an asymmetric exceptional surface

Kavli Affiliate: Birgitta Whaley | First 5 Authors: Robert L. Cook, Liwen Ko, K. Birgitta Whaley, , | Summary: We study the connection between exceptional points (EPs) and optimal parameter estimation, in a simple system consisting of two counter-propagating traveling wave modes in a microring resonator. The unknown parameter to be estimated is the strength […]


Continue.. Optimal sensing on an asymmetric exceptional surface

The effect of boron incorporation on leakage and wake-up in ferroelectric Al_{1-x}Sc_xN

Kavli Affiliate: Debdeep Jena | First 5 Authors: Maike Gremmel, Chandrashekhar Prakash Savant, Debaditya Bhattacharya, Georg Schönweger, Debdeep Jena | Summary: This study explores the influence of boron incorporation on the structural and electrical properties of ferroelectric Aluminum Scandium Nitride (Al_{1-x}Sc_xN ) thin films, focusing on leakage currents, wake-up effects, and imprint behavior. Al_{1-x}Sc_xN films […]


Continue.. The effect of boron incorporation on leakage and wake-up in ferroelectric Al_{1-x}Sc_xN

Doubly robust omnibus sensitivity analysis of externally controlled trials with intercurrent events

Kavli Affiliate: Xiang Zhang | First 5 Authors: Chenyin Gao, Xiang Zhang, Shu Yang, , | Summary: Externally controlled trials are crucial in clinical development when randomized controlled trials are unethical or impractical. These trials consist of a full treatment arm with the experimental treatment and a full external control arm. However, they present significant […]


Continue.. Doubly robust omnibus sensitivity analysis of externally controlled trials with intercurrent events