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Understanding protein dynamics are essential for deciphering protein functional mechanisms and developing molecular therapies. However, the complex high-dimensional dynamics and interatomic interactions of biological processes pose…

Quantitative Methods · Quantitative Biology 2025-05-15 Tiexin Qin , Mengxu Zhu , Chunyang Li , Terry Lyons , Hong Yan , Haoliang Li

Understanding polymorph selection in atomic and molecular systems and its control through thermodynamic conditions and external factors (such as seed characteristics) is fundamental to the design of targeted materials and holds great…

Soft Condensed Matter · Physics 2025-06-18 Abhilasha Kumari , Gadha Ramesh , Debasish Koner , Rakesh S. Singh , Mantu Santra

The nucleation of a droplet of stable cylinder phase from a metastable lamellar phase is examined within the single-mode approximation to the Brazovskii model for diblock copolymer melts. By employing a variational ansatz for the droplet…

Soft Condensed Matter · Physics 2009-11-10 Robert A. Wickham , An-Chang Shi , Zhen-Gang Wang

Droplet-based microfluidics systems have become widely used in recent years thanks to their advantages, varying from the possibility of handling small fluid volumes to directly synthesizing and encapsulating various living forms for…

The sampling of probability distributions specified up to a normalization constant is an important problem in both machine learning and statistical mechanics. While classical stochastic sampling methods such as Markov Chain Monte Carlo…

Machine Learning · Statistics 2020-10-27 Hao Wu , Jonas Köhler , Frank Noé

A binary mixture of particles interacting with spherically-symmetric potentials leading to microsegregation is studied by theory and molecular dynamics (MD) simulations. We consider spherical particles with equal diameters and volume…

Soft Condensed Matter · Physics 2020-11-20 O. Patsahan , M. Litniewski , A. Ciach

Modern micromanipulation techniques typically involve trapping using electromagnetic, acoustic or flow fields that produce stresses on the trapped particles thereby precluding stress-free manipulations. Here, we show that by employing…

Fluid Dynamics · Physics 2024-06-13 Jeremias Gonzalez , Ajay Gopinathan , Bin Liu

We present a mesoscale representation of near-contact interactions between colliding droplets which permits to reach up to the scale of full microfluidic devices, where such droplets are produced. The method is demonstrated for the case of…

Computational Physics · Physics 2020-06-23 Andrea Montessori , Marco Lauricella , Adriano Tiribocchi , Sauro Succi

Aiming to obtain a high-resolution image, pansharpening involves the fusion of a multi-spectral image (MS) and a panchromatic image (PAN), the low-level vision task remaining significant and challenging in contemporary research. Most…

Computer Vision and Pattern Recognition · Computer Science 2025-08-18 Xuanyu Liu , Bonan An

In spite of significant advances in replication technologies, methods to produce well-defined three dimensional structures are still at its infancy. Such a limitation would be evident if we were to produce a large array of simple and,…

In particle-based computer simulations of polydisperse glassforming systems, the particle diameters $\sigma = \sigma_1, \dots, \sigma_N$ of a system with $N$ particles are chosen with the intention to approximate a desired distribution…

Soft Condensed Matter · Physics 2022-12-14 Niklas Küchler , Jürgen Horbach

Many problems in materials science and biology involve particles interacting with strong, short-ranged bonds, that can break and form on experimental timescales. Treating such bonds as constraints can significantly speed up sampling their…

Numerical Analysis · Mathematics 2020-12-02 Miranda Holmes-Cerfon

Motivation: With the development of droplet based systems, massive single cell transcriptome data has become available, which enables analysis of cellular and molecular processes at single cell resolution and is instrumental to…

Machine Learning · Computer Science 2018-12-27 Tiehang Duan , José P. Pinto , Xiaohui Xie

Metasurfaces have attracted extensive interests due to their ability to locally manipulate optical parameters of light and easy integration to complex optical systems. Particularly, metasurfaces can provide a novel platform for splitting…

High throughput screening of small molecules and natural products is costly, requiring significant amounts of time, reagents, and operating space. Although microarrays have proven effective in the miniaturization of screening for certain…

Biomolecules · Quantitative Biology 2022-10-17 Tracey N. Bell , Aubrey E. Kusi-Appiaha , Pengfei Lyu , L. Zhu , F. Zhu , David Van Winkle , Hongyuan Cao , M. Singh , Steven Lenhert

The inverse design of metasurfaces faces inherent challenges due to the nonlinear and highly complex relationship between geometric configurations and their electromagnetic behavior. Traditional optimization approaches often suffer from…

Two successful approaches for the segmentation of biomedical images are (1) the selection of segment candidates from a merge-tree, and (2) the clustering of small superpixels by solving a Multi-Cut problem. In this paper, we introduce a…

Computer Vision and Pattern Recognition · Computer Science 2017-07-05 Jan Funke , Chong Zhang , Tobias Pietzsch , Stephan Saalfeld

The integration of deep learning technologies in medical imaging aims to enhance the efficiency and accuracy of cancer diagnosis, particularly for pancreatic and breast cancers, which present significant diagnostic challenges due to their…

Computer Vision and Pattern Recognition · Computer Science 2024-11-19 Minhee Jang , Juheon Son , Thanaporn Viriyasaranon , Junho Kim , Jang-Hwan Choi

The rheology of pressure-driven flows of two-dimensional dense monodisperse emulsions in neutral wetting microchannels is investigated by means of mesoscopic lattice simulations, capable of handling large collections of droplets, in the…

Soft Condensed Matter · Physics 2019-12-03 Linlin Fei , Andrea Scagliarini , Kai H. Luo , Sauro Succi

Subspace clustering is to find underlying low-dimensional subspaces and cluster the data points correctly. In this paper, we propose a novel multi-view subspace clustering method. Most existing methods suffer from two critical issues.…

Artificial Intelligence · Computer Science 2022-05-24 Mengyuan Zhang , Kai Liu