Publication

Modeling high-entropy transition metal alloys with alchemical compression

Publications associées (31)

Surface segregation in high-entropy alloys from alchemical machine learning

Michele Ceriotti, Sandip De, Nataliya Lopanitsyna, Guillaume André Jean Fraux, Arslan Mazitov

High-entropy alloys (HEAs), containing several metallic elements in near-equimolar proportions, have long been of interest for their unique mechanical properties. More recently, they have emerged as a promising platform for the development of novel heterog ...

Iop Publishing Ltd2024

Dynamical simulation via quantum machine learning with provable generalization

Zoë Holmes

Much attention has been paid to dynamical simulation and quantum machine learning (QML) independently as applications for quantum advantage, while the possibility of using QML to enhance dynamical simulations has not been thoroughly investigated. Here we d ...

Amer Physical Soc2024

Data-Intensive Exploration of the Photoelectrochemical Responses of Main-Group Metal Sulfides

Nicola Colonna

Materials that efficiently promote the thermodynamically uphill water-splitting reaction under solar illumination are essential for generating carbon-free ("green") hydrogen. Mapping out the combinatorial space of potential photocatalysts for this reaction ...

Amer Chemical Soc2024

Modified capillary number to standardize droplet generation in suction-driven microfluidics

Jatin Panwar, Rahul Roy

In droplet microfluidic devices with suction-based flow control, the microchannel geometry and suction pressure at the outlet govern the dynamic properties of the two phases that influence the droplet generation. Therefore, it is critical to understand the ...

Springer Heidelberg2024

RE:SLAB — a load bearing system for open-ended component reuse in building structures

Dario Redaelli, Corentin Jean Dominique Fivet, Jan Friedrich Georg Brütting, Alex-Manuel Muresan, Edisson Xavier Estrella Arcos

The construction industry plays a major role in the high levels of greenhouse gas emissions, resource consumption, and waste generation observed nowadays. Key to the circular economy, structural component reuse arises as a promising solution to divert cons ...

2024

Orchestrating chromosome conformation capture analysis with Bioconductor

Cyril Matthey-Doret

Genome-wide chromatin conformation capture assays provide formidable insights into the spatial organization of genomes. However, due to the complexity of the data structure, their integration in multi-omics workflows remains challenging. We present data st ...

Nature Research2024

A semantic model-based systems engineering approach for assessing the operational performance of metal forming process

Dimitrios Kyritsis, Jinzhi Lu, Xiaochen Zheng

Metal Forming is a basic and essential industrial process to provide materials for constructing complex products. To design an efficient metal forming process, the functional requirements and operational performance are two important aspects to be consider ...

Pergamon-Elsevier Science Ltd2024

Strategy to systematically design and deploy the ITER plasma control system: A system engineering and model-based design approach

Richard Pitts, Federico Alberto Alfredo Felici, Federico Pesamosca, Anna Ngoc Minh Trang Vu

The paper details the process of developing the ITER Plasma Control System (PCS), that is, how to design and deploy it systematically, in the most efficient and effective manner. The integrated nature of the ITER PCS, with its multitude of coupled control ...

Elsevier Science Sa2024

Live-cell imaging powered by computation

Suliana Manley, Florian Jug

The proliferation of microscopy methods for live-cell imaging offers many new possibilities for users but can also be challenging to navigate. The prevailing challenge in live-cell fluorescence microscopy is capturing intra-cellular dynamics while preservi ...

Nature Portfolio2024

Oligolithic Cross-task Optimizations across Isolated Workloads

Anastasia Ailamaki, Panagiotis Sioulas, Eleni Zapridou

Enterprises collect data in large volumes and leverage them to drive numerous concurrent decisions and business processes. Their teams deploy multiple applications that often operate concurrently on the same data and infrastructure but have widely differen ...

2024

Hausdorff dimension of fermions on a random lattice

Mattia Guerino Varrone

Geometric properties of lattice quantum gravity in two dimensions are studied numerically via Monte Carlo on Euclidean Dynamical Triangulations. A new computational method is proposed to simulate gravity coupled with fermions, which allows the study of int ...

Elsevier2024

A Streamline Upwind Petrov-Galerkin Reduced Order Method for Advection-Dominated Partial Differential Equations Under Optimal Control

Gianluigi Rozza, Fabio Zoccolan

In this paper we will consider distributed Linear-Quadratic Optimal Control Problems dealing with Advection-Diffusion PDEs for high values of the Peclet number. In this situation, computational instabilities occur, both for steady and unsteady cases. A Str ...

Walter De Gruyter Gmbh2024

An aircraft assembly process formalism and verification method based on semantic modeling and MBSE

Dimitrios Kyritsis, Jinzhi Lu, Xiaochen Zheng

The aircraft assembly system is highly complex involving different stakeholders from multiple domains. The design of such a system requires comprehensive consideration of various industrial scenarios aiming to optimize key performance indicators. Tradition ...

Elsevier Sci Ltd2024

Seeking the new, learning from the unexpected: Computational models of surprise and novelty in the brain

Alireza Modirshanechi

Human babies have a natural desire to interact with new toys and objects, through which they learn how the world around them works, e.g., that glass shatters when dropped, but a rubber ball does not. When their predictions are proven incorrect, such as whe ...

EPFL2024

The role of computational methods in cardiovascular medicine: a narrative review

Alfio Quarteroni, Luca Dede', Christian Vergara, Stefano Pagani

Background and Objective: Computational models of the cardiovascular system allow for a detailed and quantitative investigation of both physiological and pathological conditions, thanks to their ability to combine clinical-possibly patient-specific-data wi ...

Ame Publishing Company2024

A Combination Technique for Optimal Control Problems Constrained by Random PDEs

Fabio Nobile, Tommaso Vanzan

We present a combination technique based on mixed differences of both spatial approximations and quadrature formulae for the stochastic variables to solve efficiently a class of optimal control problems (OCPs) constrained by random partial differential equ ...

2024

Solute-strengthening in metal alloys with short-range order

William Curtin, Shankha Nag

Recent surging interest in strengthening of High Entropy Alloys (HEAs) with possible chemical ordering motivates the development of new theory. Here, an existing theory for random alloys that accounts for solute-dislocation and solute–solute interactions i ...

2024

Modelling of metal alloys in realistic conditions with machine learning

Nataliya Lopanitsyna

Computer simulations based on statistical methods have emerged as a powerful tool for studying structure-property relationships at the atomistic level. However, to provide reliable insights into materials in realistic conditions, it is essential to accurat ...

EPFL2023

Lessons Learned from Data-Driven Building Control Experiments: Contrasting Gaussian Process-based MPC, Bilevel DeePC, and Deep Reinforcement Learning

Colin Neil Jones, Loris Di Natale, Yingzhao Lian, Emilio Maddalena, Jicheng Shi

This manuscript offers the perspective of experimentalists on a number of modern data-driven techniques: model predictive control relying on Gaussian processes, adaptive data-driven control based on behavioral theory, and deep reinforcement learning. These ...

2023

Chat2Code: A Chatbot for Model Specification and Code Generation, The Case of Smart Contracts

Shailesh Mishra

The potential of automatic code generation through Model-Driven Engineering (MDE) frameworks has yet to be realized. Beyond their ability to help software professionals write more accurate, reusable code, MDE frameworks could make programming accessible fo ...

Ieee Computer Soc2023