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Inverse methods of statistical mechanics have facilitated the discovery of pair potentials that stabilize a wide variety of targeted lattices at zero temperature. However, such methods are complicated by the need to compare, within the…

统计力学 · 物理学 2016-09-19 Beth A. Lindquist , Ryan B. Jadrich , Thomas M. Truskett

Designing components that can robustly self-assemble into structures with biological complexity is a grand challenge for material science. Proofreading and error correction is required to improve assembly yield beyond equilibrium limits,…

软凝聚态物质 · 物理学 2023-12-15 Qian-Ze Zhu , Chrisy Xiyu Du , Ella M. King , Michael P. Brenner

Accelerating the discovery of mechanical properties in combinatorial materials requires autonomous experimentation that accounts for both instrument behavior and experimental cost. Here, an automated nanoindentation (AE-NI) framework is…

With phenomenal growth of high speed and complex computing applications, the design of low power and high speed logic circuits have created tremendous interest. Conventional computing devices are based on irreversible logic and further…

新兴技术 · 计算机科学 2016-08-08 Vishal Pareek

Topology optimization of modular structures and mechanisms enables balancing the performance of automatically-generated individualized designs, as required by Industry 4.0, with enhanced sustainability by means of component reuse. For…

材料科学 · 物理学 2022-05-25 Marek Tyburec , Martin Doškář , Jan Zeman , Martin Kružík

Synthetic polymer-based storage seems to be a particularly promising candidate that could help to cope with the ever-increasing demand for archival storage requirements. It involves designing molecules of distinct masses to represent the…

信息论 · 计算机科学 2026-04-02 Anisha Banerjee , Antonia Wachter-Zeh , Eitan Yaakobi

This paper presents a novel method to identify and insert redundant logic into a combinational circuit to improve its fault tolerance without having to replicate the entire circuit as is the case with conventional redundancy techniques. In…

硬件体系结构 · 计算机科学 2017-07-24 P Balasubramanian , R T Naayagi

Krylov subspace recycling is a powerful tool for solving long series of large, sparse linear systems that change slowly. In PDE constrained shape optimization, these appear naturally, as hundreds or more optimization steps are needed with…

数值分析 · 数学 2020-10-23 Matthias Bolten , Eric de Sturler , Camilla Hahn

Fabrication errors pose a significant challenge in scaling up solid-state quantum devices to the sizes required for fault-tolerant (FT) quantum applications. To mitigate the resource overhead caused by fabrication errors, we combine two…

Extended defects such as dislocation networks and general grain boundaries are ubiquitous in metals, and accurately modeling these extensive defects is crucial for understanding their deformation mechanisms. Existing machine learning…

材料科学 · 物理学 2025-06-10 Fei Shuang , Kai Liu , Yucheng Ji , Wei Gao , Luca Laurenti , Poulumi Dey

Adaptive atomistic/continuum (a/c) coupling method is an important method for the simulation of material and atomistic systems with defects to achieve the balance of accuracy and efficiency. Residual based a posteriori error estimator is…

数值分析 · 数学 2022-11-28 Yangshuai Wang , Hao Wang

Choosing the optimal observable to model dynamical systems for which we do not know the driving equations is nearly always an ad hoc art. Takens' Delay Embedding Theorem guarantees a diffeomorphism between delay-coordinate vectors built…

计算物理 · 物理学 2026-05-01 Maximilian Topel

We present a new method for developing time step controllers based on a technique from the field of machine learning. This method is applicable to stable time integrators that have an embedded scheme, i.e., that have local error estimation…

数值分析 · 数学 2025-12-23 Thomas Izgin , Hendrik Ranocha

Target-oriented discovery under limited evaluation budgets requires making reliable progress in high-dimensional, heterogeneous design spaces where each new measurement is costly, whether experimental or high-fidelity simulation. We present…

机器学习 · 计算机科学 2026-02-04 Yixuan Zhang , Zhiyuan Li , Weijia He , Mian Dai , Chen Shen , Teng Long , Hongbin Zhang

We prove the computational weakness of a model of tile assembly that has so far resisted many attempts of formal analysis or positive constructions. Specifically, we prove that, in Winfree's abstract Tile Assembly Model, when restricted to…

计算复杂性 · 计算机科学 2015-07-31 Pierre-Étienne Meunier , Damien Regnault

Ensuring the reliability and resilience of modern web applications remains a critical challenge due to increasing system complexity and dynamic runtime environments. This study proposes a modular self-healing framework based on the…

软件工程 · 计算机科学 2026-05-20 Sales Aribe , Rov Japheth Oracion

Key generation is a promising technique to establish symmetric keys between resource-constrained legitimate users. However, key generation suffers from low secret key rate (SKR) in harsh environments where channel randomness is limited. To…

信息论 · 计算机科学 2022-08-02 Tianyu Lu , Liquan Chen , Junqing Zhang , Chen Chen , Aiqun Hu

Recent years have witnessed the surge of asynchronous parallel (async-parallel) iterative algorithms due to problems involving very large-scale data and a large number of decision variables. Because of asynchrony, the iterates are computed…

最优化与控制 · 数学 2021-02-05 Zhimin Peng , Yangyang Xu , Ming Yan , Wotao Yin

Despite decades of practice, finite-size errors in many widely used electronic structure theories for periodic systems remain poorly understood. For periodic systems using a general Monkhorst-Pack grid, there has been no comprehensive and…

计算物理 · 物理学 2023-11-16 Xin Xing , Xiaoxu Li , Lin Lin

This work studies the design problem of feedback stabilizers for discrete-time systems with input delays. A backstepping procedure is proposed for disturbance-free discrete-time systems. The feedback law designed by using backstepping…

最优化与控制 · 数学 2012-12-05 Iasson Karafyllis , Miroslav Krstic