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The expansiveness of compositional phase space is too vast to fully search using current theoretical tools for many emergent problems in condensed matter physics. The reliance on a deep chemical understanding is one method to identify local…

Superconductivity · Physics 2023-01-26 Lazar Novakovic , Ashkan Salamat , Keith V. Lawler

We demonstrate a machine learning approach designed to extract hidden chemistry/physics to facilitate new materials discovery. In particular, we propose a novel method for learning latent knowledge from material structure data in which…

Materials Science · Physics 2021-08-03 Tien-Cuong Nguyen , Van-Quyen Nguyen , Van-Linh Ngo , Quang-Khoat Than , Tien-Lam Pham

Serial crystallography is the field of science that studies the structure and properties of crystals via diffraction patterns. In this paper, we introduce a new serial crystallography dataset comprised of real and synthetic images; the…

Intelligent biological systems are characterized by their embodiment in a complex environment and the intimate interplay between their nervous systems and the nonlinear mechanical properties of their bodies. This coordination, in which the…

Machine Learning · Computer Science 2023-02-02 Deniz Oktay , Mehran Mirramezani , Eder Medina , Ryan P. Adams

This thesis demonstrate the efficacy of designing and developing machine learning (ML) algorithms to selected use cases that encompass many of the outstanding challenges in the field of experimental high energy physics. Although simple…

High Energy Physics - Experiment · Physics 2019-03-14 Michela Paganini

Physics-based simulation for fluid flow in porous media is a computational technology to predict the temporal-spatial evolution of state variables (e.g. pressure) in porous media, and usually requires high computational expense due to its…

Fluid Dynamics · Physics 2021-05-11 Bicheng Yan , Dylan Robert Harp , Bailian Chen , Rajesh J. Pawar

Data-driven approaches for material discovery and design have been accelerated by emerging efforts in machine learning. However, general representations of crystals to explore the vast material search space remain limited. We introduce a…

The recent discovery of ferroelectric nematics-genuine 3D ferroelectric fluids-has underscored the importance of electrostatic interactions in shaping the physical behaviour of soft matter systems. In this paper, we investigate the…

My research is dedicated to the electronic properties of functional oxides. My activity specifically focuses on ferroelectric tunnel junctions in which an ultrathin layer of ferroelectric material is intercalated between two metallic…

Materials Science · Physics 2020-11-17 Vincent Garcia

Nanoelectronic devices emulating neuro-synaptic functionalities through their intrinsic physics at low operating energies is imperative toward the realization of brain-like neuromorphic computers. In this work, we leverage the non-linear…

Emerging Technologies · Computer Science 2021-10-13 Arnob Saha , A N M Nafiul Islam , Zijian Zhao , Shan Deng , Kai Ni , Abhronil Sengupta

Thermoelectric materials can generate clean energy by transforming waste heat into electricity. The effectiveness of thermoelectric materials is measured by the dimensionless figure of merit, ZT. The quest for high ZT materials has drawn…

Materials Science · Physics 2025-09-03 Chung T. Ma , S. Joseph Poon

A physics-informed neural network is presented for poroelastic problems with coupled flow and deformation processes. The governing equilibrium and mass balance equations are discussed and specific derivations for two-dimensional cases are…

Computational Engineering, Finance, and Science · Computer Science 2020-10-30 Yared W. Bekele

Two-dimensional (2D) ferroelectric semiconductors present opportunities for integrating ferroelectrics into high-density ultrathin nanoelectronics. Among the few synthesized 2D ferroelectrics, $\alpha$-In$_2$Se$_3$, known for its…

Materials Science · Physics 2024-02-29 Liyi Bai , Changming Ke , Zhongshen Luo , Tianyuan Zhu , Lu You , Shi Liu

Ferroelectricity is characterized by the presence of spontaneous and switchable macroscopic polarization. Scaling limits of ferroelectricity have been of both fundamental and technological importance, but the probes of ferroelectricity have…

Due to the vast chemical space, discovering materials with a specific function is challenging. Chemical formulas are obligated to conform to a set of exacting criteria such as charge neutrality, balanced electronegativity, synthesizability,…

Materials Science · Physics 2023-10-03 Rongzhi Dong , Nihang Fu , dirisuriya M. D. Siriwardane , Jianjun Hu

Metal-organic frameworks (MOFs) are a class of crystalline materials with promising applications in many areas such as carbon capture and drug delivery. In this work, we introduce MOFFlow, the first deep generative model tailored for MOF…

Biomolecules · Quantitative Biology 2025-03-20 Nayoung Kim , Seongsu Kim , Minsu Kim , Jinkyoo Park , Sungsoo Ahn

Ferroics and multiferroics are unique objects for fundamental physical research of complex nonlinear processes and phenomena, which occur in them in micro and nanoscale. Due to the possibility of their physical properties control by size…

The identification and classification of transitions in topological and microstructural regimes in pattern-forming processes are critical for understanding and fabricating microstructurally precise novel materials in many application…

Materials Science · Physics 2022-08-12 Marcin Abram , Keith Burghardt , Greg Ver Steeg , Aram Galstyan , Remi Dingreville

We propose a machine learning approach to address a key challenge in materials science: predicting how fractures propagate in brittle materials under stress, and how these materials ultimately fail. Our methods use deep learning and train…

Disordered metamaterials are promising for programming physical properties across diverse applications, yet their inverse design remains challenging due to the non-intuitive structure-property relationships and large design spaces. Recent…

Computational Engineering, Finance, and Science · Computer Science 2026-03-18 Ziyuan Xie , Weipeng Xu , Dazhi Zhao , Wenchang Zhang , Daoyang Dong , Bingbing Xu , Ning Liu , Sheng Mao , Tianju Xue
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