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Computation MDPI

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Computation MDPI

Computation (ISSN 2079-3197) is an journal of computational biology, chemistry, and engineering; covered by and .

12/03/2026

Join us for the 3rd Computation Webinar 2026 on Energy and Advanced Computing in the Age of Machine Learning: From Quantum to Grid.

Explore how advanced computing and machine learning are supporting new developments in energy materials and intelligent systems.

Session 2 will cover digital twin frameworks for battery manufacturing, computational studies of energy storage materials and interfaces, neuromorphic computing, and sodium thiophosphate catholytes for nonaqueous redox flow batteries.

📅 Date: 1 April 2026
🕓 Time: 4:30 p.m. (CEST) | 10:30 a.m. (EDT)
📖 Webinar details: https://shorturl.at/ZPzeG
🔗 Register now: https://shorturl.at/xLPU0

12/03/2026

Join us for the 3rd Computation Webinar 2026 on Energy and Advanced Computing in the Age of Machine Learning: From Quantum to Grid.

Discover how computational methods, machine learning, and modern simulation are advancing the understanding and design of complex systems.

Session 1 will highlight methodological and computational innovations, including Monte Carlo entropic sampling, machine learning interatomic potentials, and new approaches to improving productivity in high-performance computing.

📅 Date: 31 March 2026
🕓 Time: 4:30 p.m. (CEST) | 10:30 a.m. (EDT)
📖 Webinar details: https://shorturl.at/ZPzeG
🔗 Register now: https://shorturl.at/xLPU0

09/03/2026

🌊📊 Highly Viewed Paper Published in 2025 in Computation

Fractional-Order Modeling of Sediment Transport and Coastal Erosion Mitigation in Shorelines Under Extreme Climate Conditions: A Case Study in Iraq

Authors: Ibtisam Aldawish and Rabha W. Ibrahim

As climate change intensifies coastal erosion, accurate modeling of sediment transport becomes essential for effective shoreline protection. This study proposes a fractional-order modeling framework to analyze erosion dynamics and evaluate stabilization strategies under extreme climate scenarios.

🧠 What the paper covers:
➡️ Fractional-order sediment transport modeling using modified gamma function operators
➡️ Comparative analysis of artificial stabilization and bio-engineering approaches
➡️ Simulation of sediment retention under extreme climate conditions
➡️ Bio-engineering solutions retaining up to 55% more sediment than no intervention

🚀 The findings highlight the long-term resilience of ecosystem-based coastal protection strategies and support hybrid approaches combining engineered and natural solutions.

🔗 Read the full paper:
https://www.mdpi.com/2079-3197/13/5/104

05/03/2026

📢 Special Issue Announcement in Computation

Multiscale Modeling in Computational Biology: From Quantum Mechanics to Molecular Dynamics and Artificial Intelligence

Modern drug discovery increasingly relies on integrated computational workflows. This Special Issue explores the convergence of quantum mechanics (QM), molecular dynamics (MD), and machine learning (ML) to advance computational biology, precision medicine, and rational molecular design.

The issue welcomes contributions on topics such as electronic structure analysis, QM/MM enzyme modeling, enhanced sampling techniques, AI-guided lead optimization, quantum-derived descriptors for ML, and high-performance computing frameworks for biomolecular research.

👤 Guest Editor:
Dr. Whelton Miller

📖 Learn more and submit your manuscript:
https://www.mdpi.com/journal/computation/special_issues/1R83VNQJH3

02/03/2026

📢 Submission Deadline Extended

Great news! The abstract submission deadline for Entropy 2026 conference has been extended to 1 April 2026.

Join us in Barcelona, Spain (1–3 July 2026) to connect with researchers working in entropy, information theory, complex systems, and related disciplines. This is an excellent opportunity to present your latest findings and engage in interdisciplinary discussions.

📝 Submit your abstract now at: https://sciforum.net/user/submission/create/1433
🗓️ Register with early-bird rates by 31 March 2026: https://sciforum.net/event/Entropy2026?section=
🔗 Learn more: https://sciforum.net/event/Entropy2026

26/02/2026

🌊📢 Call for Papers – Special Issue in Computation

Advances in Computational Methods for Fluid Flow — 2nd Edition
🗓️ Submission Deadline: 30 November 2026

This Special Issue focuses on the latest developments in computational techniques for modeling, analyzing, and simulating fluid flow across engineering, physics, and applied mathematics. As fluid dynamics problems grow in complexity, innovative numerical and data-driven methods are essential for accurate and scalable solutions.

🧠 Topics include:
➡️ Advanced numerical methods such as finite element, finite volume, and spectral approaches
➡️ Machine learning and AI applications in fluid dynamics
➡️ High-performance computing for large-scale simulations
➡️ Multiscale and multiphysics modeling
➡️ Experimental validation of computational models
➡️ Industrial and environmental CFD applications

🚀 Researchers and practitioners are invited to contribute original research, reviews, and case studies that advance computational fluid dynamics and foster interdisciplinary collaboration.

Guest Editors:
Prof. Dr. Ali Cemal Benim
Prof. Dr. Sergey A. Karabasov
Prof. Dr. Dimitris Drikakis

🔗 Submit your work:
https://www.mdpi.com/journal/computation/special_issues/XC3K260DO1

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