Past News

Past News

 

CRUNCH group research highlighted by Soft Matter as cover article (March 2019)


Recent research from the CRUNCH group has been featured on the back cover of the prestigious RSC journal Soft Matter. This highlighted work was performed in the group of Prof. George Karniadakis from the Division of Applied Mathematics, Brown University, in collaboration with the group of Prof. Chao Yang from the Institute of Process Engineering, Chinese Academy of Sciences. Shown on the cover is a snapshot of multiscale simulation of a shear flow past an endothelial glycocalyx layer (EGL) in a microchannel, with the atomistic resolution locally (water molecules, heparan sulfate chains, lipid bilayer and transmembrane proteins) and the coarse-grained resolution in bulk domain. 

View the article [hyperlink: https://doi.org/10.1039/C8SM02170H].

The study reports the multiscale modeling of soft multi-functional surfaces. The endothelial glycocalyx layer is a soft multi-functional surface, coating the endothelial cells and lining the entire vascular system. Single brute-force atomistic simulation for this problem is prohibitively expensive and limited to small scales. This study shows that an efficient parallel multiscale method can bridge the atomistic and mesoscale regimes in modeling of soft mult-functional surfaces, from nanometer to micron and beyond.

Computer Models provide new understanding of sickle cell disease

Simulations developmented by George Karniadakis and his research group provide new details of how sickle cell disease manifests inside red blood cells, which could provide help in developing new treatments. (Read News from Brown.)

Understanding of the interactions between sickle cell fibers

Researchers in Applied Mathematics discover ways to understand better sickle cell disease

George Karniadakis' research group including Lu Lu, He Li, Xin Bian and Xuejin Li have published research which reveals a new understanding of the intracellular polymerization of sickle hemoglobin (Hbs).  (Read more.)

CRUNCH group research highlighted by LANGMUIR as cover article

Research from the CRUNCH group has been featured on the cover of the prestigious ACS journal LANGMUIR. The research was a collaborative effort by Kaixuan Zhang, Zhen Li, Martin Maxey and George Karniadakis in partnership with Shuo Chen from Tongji University (Shanghai, China). Shown on the cover are different phases of droplet coalescence dynamics on a hydrophobic surface with hierarchical roughness, in which the colors on the rough wall indicate the distribution of surface structure height, and the wavelets on the liquid droplets represent the thermal capillary waves. View the article http://dx.doi.org/10.1021/acs.langmuir.8b03664.

The study reports a novel self-cleaning mechanism of textured surfaces attributed to a spontaneous coalescence-induced wetting transition, which explains why droplets on rough surfaces are able to change from the highly adhesive Wenzel state to the low-adhesion Cassie–Baxter state and achieve self-cleaning. The study also reports that the spatial distribution of liquid components in the coalesced droplet can be controlled by properly designing the overall arrangement of multiple droplets. The findings offer new insights for designing effective biomimetic self-cleaning surfaces by enhancing spontaneous Wenzel-to-Cassie wetting transitions, and additionally, for developing new noncontact methods to manipulate liquids inside the small droplets via multiple-droplet coalescence.

2018 Editors' Choice Collection  

In the annual Editors' Choice collection, the JCP Editors highlight a few of the many notable articles published this year that present significant and definitive research in experimental and theoretical areas of the field. The articles below are a sneak peek of the full collection, which will be announced in early 2019.

George Em Karniadakis

George Karnidakis and Sharon Rounds have been elected fellows of the American Association for the Advancement of Science.  Professor Karniadakis was recognized for his outstanding contributions to applied mathematics, especially in developing mathematical simulations of a variety of physics and biological systems.

Quantifying Platelet Margination in Diabetic Blood Flow

In silico study of near-wall platelet dynamics in diabetic blood flow with an adhered white blood cell (WBC), showing a platelet sliding over a WBC and undergoing a flipping motion. Such WBCs  tend to reduce platelet margination while increasing the probability of platelet-WBC aggregation. See the article by Chang et al. in the October 2nd issue of Biophysical Journal.

2018 Editors' Choice article:

An Atomistic Fingerprint Algorithm for Learning Ab Initio Molecular Force Fields. https://doi.org/10.1063/1.5008630

How sickled red blood cells stick to blood vessels

Analysis of blood from patients with sickle-cell disease reveals how cell clumping begins. 

MIT-Sickle Red Blood Cells

World's Fastest Supercomputers to Help Model How Liquids Move Through Shale.

An atomistic fingerprint algorithm for learning ab initio molecular force fields

New Machine learning system identifies shapes of red blood cells

Scientists have developed a new system to classify the shapes of red blood cells by using a computational approach known as deep learning.  This unique approach can potentially help doctors treat their patients with sickle cell disease.  The findings were published in PLOS Computational Biology.  (Read more.) Visual Credit:  Xu et al.

A new book is published by George Karniadakis and Zhongqiang Zhang.

Professor George Karniadakis has coauthored a new book with Zhongqiang Zhang entitled,  "Numerical Methods for Stochastic Partial Differential Equations with White Noise."

Powerful mathematical tools take the guesswork out of highly complex designs 

Super-cavitating hydrofoils are deployed during the take off and they ensure the development of a lift force balancing the weighSuper-cavitating hydrofoils are deployed during the take off and they ensure the development of a lift force balancing the weigh

Researchers from Brown University, led by Professor George Karniadakis, have joined forces with other leading institutions to develop powerful mathematical tools which simplify and reduce the myriad of ambiguities and variables involved in the design of highly complex military vessels. (Read more.)

Best PhD Award in in Biomedical Engineering

Paris Perdikaris received the Best PhD Award in Biomedical Engineering Paris Perdikaris received this award on April 12th at the 5th International Conference on Computational and Mathematical Biomedical Engineering (sponsored by the International Journal for Numerical Methods in Biomedical Engineering). It is awarded every two years to a doctoral thesis that exhibits substantial merit to the field of Biomedical Engineering.

Best Poster:  From Micelles to Cells.  Modeling Mesoscopic Phenomena

 Using Particle-Based Models: Theory, Implementation and Applications. Yu-Hang Tang, George Em Karniadakis.  Abstract:  The successful application of computer simulation techniques for solving problems in physical sciences requires interdisciplinary effort spanning theory, software implementation, and application. In this poster, algorithms and strategies are presented for the optimization of two GPU­-accelerated Dissipative Particle Dynamics (DPD) packages that can utilize and push for the limit of thousands of current generation massively parallel processors. It is also presented how to apply petascale DPD simulations to model the separation of rare circulating cancer cells from millions of normal blood cells, as well as the non­equilibrium dynamics of self­assembled structures called vesicles and micelles whose affinity to water changes nonlinearly with respect to system temperature. The presented work demonstrates that a close interplay between computation and science is critical to facilitate the development and adoption of high performance computing for solving practical scientific problems.  

In-Silico Medicine: Multiscale Modeling of Hematological Disorders

Petascale Dissipative Particle Dynamics Simulations of Biomedical Microfluidic Devices

ICFDA’16 Riemann-Liouville award for best paper  

The 2016 International Conference on Fractional Differentiation and its Applications, awarded a recent paper entitled, "Fast solver for fractional di fferential equations based on Hierarchical Matrices," with the distinction of "best paper."  The article was authored by Xuan Zhao, Xiaozhe Hu, Wei Cai and George Em Karniadakis.   Abstract:  A robust and fast solver for the fractional differential equation (FDEs) involving the Riesz fractional derivative is developed using an adaptive fi nite element method on nonuniform meshes. It is based on the utilization of hierarchical matrices (H-Matrices) for the representation of the stiffness matrix resulting from the finite element discretizationof the FDEs. We employ a geometric multigrid method for the solution of the algebraic system of equations. We combine it with an adaptive algorithm based on a posteriori error estimation to deal with general-type singularities arising in the solution of the FDEs.  Through various test examples we demonstrate the efficiency of the method and the high accuracy of the numerical solution even in the presence of singularities. To the best of our knowledge, there are currently no other methods for FDEs that resolve singularities accurately at linear complexity as the one we propose here.  (Read full article.)

How the Spleen Filters Blood

 

Computer model finds slits in the spleen impose a “physical fitness test” on red blood cells.   Pictured on the left is a spleen; on the right are red blood cells. ““We have presented results showing that the spleen is the main organ that defines the shape of the circulating red blood cells” says Ming Dao, a principal research scientist in MIT’s Department of Materials Science and Engineering. Read full story.

Computer Model Demonstrates How Human Spleen Filters Blood

Study provides greater understanding of spleen function and could lead to new treatments for diseases. Read full story.

Research uncovers spleen's role in shaping blood cells

Computer models developed at Brown show how red blood cells move through tiny slits in the spleen. The work suggests that the limitations imposed by these slits determine the size of red blood cells. MIT/CMU/Brown.  Read Full Story

A breakthrough for researchers from Brown University, ETH Zurich and the Swiss National Supercomputing Centre (CSCS)

Read blood cells (red) and circulating tumor cells (green) traveling through a microfluidic cell sorting deviceRead blood cells (red) and circulating tumor cells (green) traveling through a microfluidic cell sorting device

Led by Professor George Karniadakis, researchers from Brown UniversityETH Zurich, and the Swiss National Supercomputing Centre (CSCS), join forces to fight against tumor formation and sickle cell anemia, using a mathematical understanding of biological systems to conquer hematologically based diseases.Read full story.

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