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检索条件"机构=Program In Applied and Computational Mathematics"
1033 条 记 录,以下是41-50 订阅
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Deep potentials for materials science
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Materials Futures 2022年 第2期1卷 89-115页
作者: Tongqi Wen Linfeng Zhang Han Wang Weinan E David J Srolovitz Department of Mechanical Engineering The University of Hong KongHong KongHong Kong Special Administrative Region of China DP Technology BeijingPeople’s Republic of China AI for Science Institute BeijingPeople’s Republic of China Laboratory of Computational Physics Institute of Applied Physics and Computational MathematicsBeijingPeople’s Republic of China HEDPS CAPTCollege of EngineeringPeking UniversityBeijingPeople’s Republic of China School of Mathematical Sciences Peking UniversityBeijingPeople’s Republic of China Department of Mathematics and Program in Applied and Computational Mathematics Princeton UniversityPrincetonNJUnited States of America International Digital Economy Academy(IDEA) ShenzhenPeople’s Republic of China
To fill the gap between accurate(and expensive)ab initio calculations and efficient atomistic simulations based on empirical interatomic potentials,a new class of descriptions of atomic interactions has emerged and be... 详细信息
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SUBSPACE METHOD OF MOMENTS FOR AB INITIO 3-D SINGLE-PARTICLE CRYO-EM RECONSTRUCTION
arXiv
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arXiv 2024年
作者: Hoskins, Jeremy Khoo, Yuehaw Mickelin, Oscar Singer, Amit Wang, Yuguan Departments of Statistics and CCAM University of Chicago Chicago IL 60637 USA Departments of Statistics and CCAM University of Chicago Chicago IL 60637 USA Program in Applied and Computational Mathematics Princeton University Princeton NJ 08544 USA Program in Applied and Computational Mathematics and Department of Mathematics Princeton University Princeton NJ 08544 USA Departments of Statistics University of Chicago Chicago IL 60637 USA
Cryo-electron microscopy (Cryo-EM) is a widely-used technique for recovering the 3-D structure of biological molecules from a large number of experimentally generated noisy 2-D tomographic projection images of the 3-D... 详细信息
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A Probabilistic Approach to Discounted Infinite Horizon and Invariant Mean Field Games
arXiv
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arXiv 2024年
作者: Carmona, René Tangpi, Ludovic Zhang, Kaiwen Operations Research and Financial Engineering Program in Applied and Computational Mathematics Princeton University United States Operations Research and Financial Engineering Princeton University United States
This paper considers discounted infinite horizon mean field games by extending the probabilistic weak formulation of the game as introduced in [16]. Under similar assumptions as in the finite horizon game, we prove ex...
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Thermal disorder and phonon softening in the ferroelectric phase transition of lead titanate
arXiv
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arXiv 2024年
作者: Xie, Pinchen Chen, Yixiao Weinan, E. Car, Roberto Program in Applied and Computational Mathematics Princeton University PrincetonNJ08544 United States AI for Science Institute Beijing China Center for Machine Learning Research School of Mathematical Sciences Peking University Beijing China Department of Chemistry Department of Physics Program in Applied and Computational Mathematics Princeton Materials Institute Princeton University PrincetonNJ08544 United States
We report an extensive molecular dynamics study of ab-initio quality of the ferroelectric phase transition in crystalline PbTiO3. We model anharmonicity accurately in terms of potential energy and polarization surface... 详细信息
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Ab initio multi-scale modeling of ferroelectrics: The case of PbTiO3
arXiv
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arXiv 2022年
作者: Xie, Pinchen Chen, Yixiao Weinan, E. Car, Roberto Program in Applied and Computational Mathematics Princeton University PrincetonNJ08544 United States Department of Mathematics and Program in Applied and Computational Mathematics Princeton University PrincetonNJ08544 United States Department of Chemistry Department of Physics Program in Applied and Computational Mathematics Princeton Institute for the Science and Technology of Materials Princeton University PrincetonNJ08544 United States
We report an ab initio multi-scale study of lead titanate using the Deep Potential (DP) models, a family of machine learning-based atomistic models, trained on first-principles density functional theory data, to repre... 详细信息
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Local Sequential MCMC for Data Assimilation with Applications in Geoscience
arXiv
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arXiv 2024年
作者: Ruzayqat, Hamza Knio, Omar Applied Mathematics and Computational Science Program Computer Electrical and Mathematical Sciences and Engineering Division King Abdullah University of Science and Technology Thuwal23955-6900 Saudi Arabia
This paper presents a new data assimilation (DA) scheme based on a sequential Markov Chain Monte Carlo (SMCMC) DA technique [36] which is provably convergent and has been recently used for filtering, particularly for ... 详细信息
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Bayesian Perspective for Orientation Estimation in Cryo-EM and Cryo-ET
arXiv
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arXiv 2024年
作者: Xu, Sheng Balanov, Amnon Bendory, Tamir Program in Applied and Computational Mathematics Princeton University PrincetonNJ08544 United States School of Electrical Engineering Tel Aviv University Tel Aviv69978 Israel
Accurate orientation estimation is a crucial component of 3D molecular structure reconstruction, both in single-particle cryo-electron microscopy (cryo-EM) and in the increasingly popular field of cryo-electron tomogr... 详细信息
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GLOBAL SOLUTIONS TO THE SUPERCOOLED STEFAN PROBLEM WITH BLOW-UPS: REGULARITY AND UNIQUENESS
Probability and Mathematical Physics
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Probability and Mathematical Physics 2022年 第1期3卷 171-213页
作者: Delarue, François Nadtochiy, Sergey Shkolnikov, Mykhaylo Laboratoire J.A.Dieudonné Université de Nice Sophia-Antipolis UMR CNRS-UNS No. 7351 Nice France Department of Applied Mathematics Illinois Institute of Technology Rettaliata Engineering Center Chicago IL United States ORFE Department Bendheim Center for Finance Program in Applied and Computational Mathematics Princeton University Princeton NJ United States
We consider the supercooled Stefan problem, which captures the freezing of a supercooled liquid, in one space dimension. A probabilistic reformulation of the problem allows us to define global solutions, even in the p... 详细信息
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Robust Group Synchronization via Quadratic programming
arXiv
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arXiv 2022年
作者: Shi, Yunpeng Wyeth, Cole Lerman, Gilad Program in Applied and Computational Mathematics Princeton University United States School of Mathematics University of Minnesota United States
We propose a novel quadratic programming formulation for estimating the corruption levels in group synchronization, and use these estimates to solve this problem. Our objective function exploits the cycle consistency ... 详细信息
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Ab-initio Contrast Estimation and Denoising of Cryo-EM Images
arXiv
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arXiv 2022年
作者: Shi, Yunpeng Singer, Amit Program in Applied and Computational Mathematics Princeton University United States Department of Mathematics Princeton University United States
Background and Objective: The contrast of cryo-EM images varies from one to another, primarily due to the uneven thickness of the ice layer. This contrast variation can affect the quality of 2-D class averaging, 3-D a... 详细信息
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