Generative pretrained autoregressive transformer graph neural network applied to the analysis and discovery of novel proteins Yazar: Buehler, Markus J

“…In a broader sense, this study illustrates a form of multiscale modeling that relates a set of ultimate building blocks (here, byte-level utf8 characters that define the nature of the physical system at hand) to complex output. …”
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Exploring heat transfer at the atomistic level for thermal energy conversion and management Yazar: Tian, Zhiting

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Modeling of mechanisms affecting the growth and breakdown of iron sulfide films Yazar: Krishnamoorthy, Aravind, Ph. D. Massachusetts Institute of Technology

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Using Deep Learning to Understand and Design Heterogeneous Materials Yazar: Yang, Zhenze

“…In this dissertation, we aim at addressing these challenges by combining multiscale modeling techniques and machine learning (ML) models to accelerate property calculation and design of heterogeneous materials. …”
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Editorial: Special section on multiscale cancer modeling Yazar: Maini, P, Wang, Z

“…The papers in this special section focus on the use of multiscale modeling in the field of cancer research. Cancer is a complex, heterogeneous disease, characterized by many interaction processes on, and across, multiple scales in time and space that act in concert to drive cancer formation, progression, invasion, and metastasis. …”

Dynamic response of Advanced Placed Ply composites Yazar: Kok, R, Peroni, M, Martinez-Hergueta, F, Pellegrino, A

“…In addition, the dynamic experiments were simulated using a multiscale modeling framework, providing further insights into the micromechanisms governing material behavior. …”

Stable Storage of Helium in Nanoscale Platelets at Semicoherent Interfaces Yazar: Kashinath, Abishek, Demkowicz, Michael J., Misra, Amit

“…He implanted into metals precipitates into nanoscale bubbles that may later grow into voids, degrading the properties of engineering alloys. Using multiscale modeling, we show that a different class of He precipitates may form at semicoherent interfaces: nanoscale platelets. …”
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Flow slip on a solid surface Yazar: Hooi, Chee Quen

“…This model utilizes the framework of multiscale modeling for complex chemical system and based on the understanding of chemical interactions between molecules, the flow slip mechanism is believed to be associated with the breaking of chemical bonding between molecules at the interface. …”
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On the validity of scaling transient conjugate heat transfer characteristics Yazar: Maffulli, R, Marinescu, G, He, L

“…Two methods have been recently proposed, aimed at addressing this issue: multiscale modeling (MSM) and equalized time-scales (ET). …”

Learning from nature by leveraging integrative biomateriomics modeling toward adaptive and functional materials Yazar: Arevalo, Sofia E., Buehler, Markus J.

“…While these materials tend to be complex and feature intricate functional interactions across scales, molecular-based multiscale modeling, machine learning, and artificial intelligence combined with experimental approaches to synthesize and characterize materials have emerged as powerful tools for analysis, prediction, and design. …”
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A Universal Approximation for Conductance Blockade in Thin Nanopore Membranes Yazar: Shah, Arjav, Pathak, Shakul, Li, Kun, Garaj, Slaven, Bazant, Martin Z, Gupta, Ankur, Doyle, Patrick S

“…By combining a first-principles approach, multiscale modeling, and experimental validation, we propose a unified theoretical modeling framework. …”
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Bridging ribosomal synthesis to cell growth through the lens of kinetics Yazar: Le, Luan Quang, Zhu, Kaicheng., Su, Haibin

“…Understanding prokaryotic cell growth requires a multiscale modeling framework from the kinetics perspective. …”
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A method to coarse-grain multiagent stochastic systems with regions of multistability Yazar: Stepanova, D, Byrne, HM, Maini, PK, Alarcón, T

“…Hybrid multiscale modeling has emerged as a useful framework for modeling complex biological phenomena. …”

Flow-Induced Symmetry Breaking in Growing Bacterial Biofilms Yazar: Pearce, Philip, Song, Boya, Skinner, Dominic J, Mok, Rachel, Hartmann, Raimo, Singh, Praveen K, Jeckel, Hannah, Oishi, Jeffrey S, Drescher, Knut, Dunkel, Jörn

“…Here, we combine highly time-resolved single-cell live imaging with 3D multiscale modeling to investigate the mechanisms by which flow affects the dynamics of all individual cells in growing biofilms. …”
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On the Capabilities of Transition Metal Carbides for Carbon Capture and Utilization Technologies Yazar: Prats, H, Pajares, A, Viñes, F, Ramírez de la Piscina, P, Sayós, R, Homs, N, Illas, F

“…In this work, we assess the use of Group 5 TMCs (VC, NbC, and TaC) as potential materials for carbon capture and sequestration/utilization technologies by combining experimental characterization techniques, first-principles-based multiscale modeling, vibrational analysis, and catalytic experiments. …”

Kinetic Model for Layer-by-Layer Crystal Growth in Chain Molecules Yazar: Bourque, Alexander Jules, Rutledge, Gregory C

“…Using this kinetic model with input parameters obtained from molecular dynamics simulations, a multiscale modeling analysis of crystal growth in n-pentacontane (C50) is performed.…”
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Enhancing phonon transmission across a Si/Ge interface by atomic roughness: First-principles study with the Green's function method Yazar: Tian, Zhiting, Esfarjani, Keivan, Chen, Gang

“…Knowledge on phonon transmittance as a function of phonon frequency and incidence angle at interfaces is vital for multiscale modeling of heat transport in nanostructured materials. …”
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Data-driven modeling of transportation systems and traffic data analysis during a major power outage in the Netherlands Yazar: Melnikov, Valentin R., Krzhizhanovskaya, Valeria V., Boukhanovsky, Alexander V., Sloot, Peter M. A.

“…The goal of our research is the development of a data-driven multiscale modeling approach for accurate simulation of road traffic in real-life transportation networks, with applications in real-time decision support systems and urban planning. …”
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Conjugate heat transfer: some fundamentals and recent progress Yazar: He, LI

“…Some recent progress will be presented in addressing the challenging issues with a new multiscale modeling strategy, particularly for CHT methods with scale-resolving Large Eddy Simulation (LES) turbulent flow solutions.…”

Electrostatic interactions govern extreme nascent protein ejection times from ribosomes and can delay ribosome recycling Yazar: Nissley, DA, Vu, QV, Trovato, F, Ahmed, N, Jiang, Y, Li, MS, O'Brien, EP

“…Here, we investigate this process using a combination of multiscale modeling, ribosome profiling, and gene ontology analyses. …”