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Complex functional materials are characterized by intricate and competing bond orders, making them an excellent platform for evaluating the newly developed Strongly Constrained and Appropriately Normed (SCAN) density functional. In this…

Materials Science · Physics 2024-09-23 Da Ke , Jianwei Sun , Yubo Zhang

Scanning Probe Microscopy (SPM) techniques have shown great potential in fabricating nanoscale structures endowed with exotic quantum properties achieved through various manipulations of atoms and molecules. However, precise control…

Controlling the properties of organic/inorganic materials requires detailed knowledge of their molecular adsorption geometries. This is often unattainable, even with current state-of-the-art tools. Visualizing the structure of complex…

Ever increasing hardware capabilities and computation powers have made acquisition and analysis of big scientific data at the nanoscale routine, though much of the data acquired often turns out to be redundant, noisy, and/or irrelevant to…

Materials Science · Physics 2020-08-04 Boyuan Huang , Ehsan Nasr Esfahani , Jiangyu Li

We report the development and implementation of a hypothesis learning based automated experiment, in which the microscope operating in the autonomous mode identifies the physical laws behind the material's response. Specifically, we explore…

We report a high through-put combinatorial approach to photonic metamaterial optimization. The new approach is based on parallel synthesis and consecutive optical characterization of large numbers of spatially addressable nano-fabricated…

Optics · Physics 2015-03-17 E. Plum , K. Tanaka , W. T. Chen , V. A. Fedotov , D. P. Tsai , N. I. Zheludev

The functional properties of ferroelectric materials are strongly influenced by ferroelectric polarization orientation; as such, access to consistent and precise characterization of polarization vectors is of substantial importance to…

Understanding the complex properties of electronic and spintronic devices at the micro- and nano-scale is a topic of intense current interest as it becomes increasingly important for scientific progress and technological applications.…

Developing novel lead-free ferroelectric materials is crucial for next-generation microelectronic technologies that are energy efficient and environment friendly. However, materials discovery and property optimization are typically…

Electric Scanning Probe Microscopies are used to characterize the surface behavior of ferroelectric materials. The effects of local charge density on the chemistry and physics of ferroelectric surfaces are investigated. The kinetics and…

Materials Science · Physics 2007-05-23 Sergei V. Kalinin , Dawn A. Bonnell

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…

Materials Science · Physics 2025-11-24 Vivek Chawla , Stephen Puplampu , Haochen Zhu , Philip D. Rack , Dayakar Penumadu , Sergei Kalinin

We report the development of a combined machine-learning and high-throughput density functional theory (DFT) framework to accelerate the search for new ferroelectric materials. The framework can predict potential ferroelectric compounds…

Automated experimentation has the potential to revolutionize scientific discovery, but its effectiveness depends on well-defined optimization targets, which are often uncertain or probabilistic in real-world settings. In this work, we…

Machine Learning · Computer Science 2025-04-10 Yu Liu , Sergei V. Kalinin

Atomistic control of phase boundaries is crucial for optimizing the functional properties of solid-solution ferroelectrics, yet their microstructural mechanisms remain elusive. Here, we harness machine-learning-driven molecular dynamics to…

Materials Science · Physics 2025-05-09 Weiru Wen , Fan-Da Zeng , Ben Xu , Bi Ke , Zhipeng Xing , Hao-Cheng Thong , Ke Wang

Rapid progress in aberration corrected electron microscopy necessitates development of robust methods for the identification of phases, ferroic variants, and other pertinent aspects of materials structure from imaging data. While…

Coupling between electrical and mechanical phenomena is a near-universal characteristic of inorganic and biological systems alike, with examples ranging from ferroelectric perovskites to electromotor proteins in cellular membranes.…

Materials Science · Physics 2016-11-15 Sergei V. Kalinin , Andrei Rar , Stephen Jesse

Recent progress in machine learning methods, and the emerging availability of programmable interfaces for scanning probe microscopes (SPMs), have propelled automated and autonomous microscopies to the forefront of attention of the…

Materials Science · Physics 2022-08-22 Maxim Ziatdinov , Yongtao Liu , Kyle Kelley , Rama Vasudevan , Sergei V. Kalinin

Electron and scanning probe microscopy produce vast amounts of data in the form of images or hyperspectral data, such as EELS or 4D STEM, that contain information on a wide range of structural, physical, and chemical properties of…

Machine Learning · Computer Science 2023-06-09 Arpan Biswas , Maxim Ziatdinov , Sergei V. Kalinin

Optimization of materials performance for specific applications often requires balancing multiple aspects of materials functionality. Even for the cases where generative physical model of material behavior is known and reliable, this often…

Materials Science · Physics 2021-12-15 Arpan Biswas , Anna N. Morozovska , Maxim Ziatdinov , Eugene A. Eliseev , Sergei V. Kalinin

Particulate composites underpin many solid-state chemical and electrochemical systems, where microstructural features such as multiphase boundaries and inter-particle connections strongly influence system performance. Advances in X-ray…

Materials Science · Physics 2026-05-19 Zebin Li , Shimao Deng , Yijin Liu , Jia-Mian Hu