Institute of Materials Informatics

📢 𝐂𝐚𝐥𝐥 𝐟𝐨𝐫 𝐒𝐮𝐛𝐦𝐢𝐬𝐬𝐢𝐨𝐧𝐬 – 𝐉𝐨𝐮𝐫𝐧𝐚𝐥 𝐨𝐟 𝐌𝐚𝐭𝐞𝐫𝐢𝐚𝐥𝐬 𝐈𝐧𝐭𝐞𝐥𝐥𝐢𝐠𝐞𝐧𝐜𝐞 𝐚𝐧𝐝 𝐂𝐨𝐦𝐩𝐮𝐭𝐢𝐧𝐠 (𝐉𝐌𝐈𝐂)

The Journal of Materials Intelligence and Computing (JMIC) is now accepting submissions for upcoming issues.

Published by the Institute of Materials Informatics, JMIC is an international peer-reviewed journal dedicated to advancing research at the intersection of computational methods, artificial intelligence, data science, and scientific discovery.

🔹 𝑵𝒐 𝑷𝒖𝒃𝒍𝒊𝒄𝒂𝒕𝒊𝒐𝒏 𝑪𝒉𝒂𝒓𝒈𝒆𝒔 𝒖𝒏𝒕𝒊𝒍 31 𝑫𝒆𝒄𝒆𝒎𝒃𝒆𝒓 2026
🔹 𝑫𝒐𝒖𝒃𝒍𝒆-𝑩𝒍𝒊𝒏𝒅 𝑷𝒆𝒆𝒓 𝑹𝒆𝒗𝒊𝒆𝒘 𝑷𝒓𝒐𝒄𝒆𝒔𝒔
🔹 𝑹𝒊𝒈𝒐𝒓𝒐𝒖𝒔 𝑬𝒅𝒊𝒕𝒐𝒓𝒊𝒂𝒍 𝑬𝒗𝒂𝒍𝒖𝒂𝒕𝒊𝒐𝒏
🔹 𝑰𝒏𝒕𝒆𝒓𝒏𝒂𝒕𝒊𝒐𝒏𝒂𝒍 𝑬𝒅𝒊𝒕𝒐𝒓𝒊𝒂𝒍 𝒂𝒏𝒅 𝑹𝒆𝒗𝒊𝒆𝒘𝒆𝒓 𝑵𝒆𝒕𝒘𝒐𝒓𝒌

📚 Scope Includes:
• Data Science, Statistics, and Machine Learning
• Artificial Intelligence and Intelligent Systems
• Computational Modeling and Simulation
• Materials, Physical, and Engineering Sciences
• Business Analytics and Quantitative Social Sciences
• Interdisciplinary and Applied Research
• Reproducibility, Software, and Data Infrastructure

We welcome original research articles, review papers, methodological studies, software papers, data-driven investigations, and interdisciplinary contributions from researchers worldwide.

📥 Submit your manuscript by scanning the QR code in the poster or visiting the submission portal.

📧 General Correspondence: [email protected]
📧 Technical Support: [email protected]

Join us in shaping the future of intelligent discovery, computational innovation, and data-driven science.

𝐌𝐨𝐥𝐞𝐜𝐮𝐥𝐚𝐫 𝐃𝐲𝐧𝐚𝐦𝐢𝐜𝐬 𝐚𝐧𝐝 𝐌𝐨𝐧𝐭𝐞 𝐂𝐚𝐫𝐥𝐨 𝐒𝐢𝐦𝐮𝐥𝐚𝐭𝐢𝐨𝐧𝐬: 𝐄𝐧𝐠𝐢𝐧𝐞𝐬 𝐨𝐟 𝐌𝐨𝐝𝐞𝐫𝐧 𝐒𝐜𝐢𝐞𝐧𝐭𝐢𝐟𝐢𝐜 𝐃𝐢𝐬𝐜𝐨𝐯𝐞𝐫𝐲

The pursuit of understanding matter at its most fundamental level has long outpaced the reach of experimental tools. Atoms are too small to observe directly; the timescales over which they interact are too short to capture; and the conditions under which critical processes occur, extreme pressures, ultrafast kinetics, and radiation environments, are often impossible to sustain in a laboratory. Computational simulation has steadily filled this gap, and among the methods that have emerged, two stand as particularly indispensable: Molecular Dynamics (MD) and Monte Carlo (MC) simulation.

Read the full article: https://www.imi-bd.com/blog/molecular-dynamics-and-monte-carlo-simulations

𝐀𝐫𝐞 𝐲𝐨𝐮 𝐩𝐚𝐬𝐬𝐢𝐨𝐧𝐚𝐭𝐞 𝐚𝐛𝐨𝐮𝐭 𝐃𝐅𝐓-𝐛𝐚𝐬𝐞𝐝 𝐂𝐨𝐦𝐩𝐮𝐭𝐚𝐭𝐢𝐨𝐧𝐚𝐥 𝐂𝐡𝐞𝐦𝐢𝐬𝐭𝐫𝐲?
Join our 𝐂𝐞𝐫𝐭𝐢𝐟𝐢𝐜𝐚𝐭𝐞 𝐂𝐨𝐮𝐫𝐬𝐞 𝐨𝐧 𝐃𝐞𝐧𝐬𝐢𝐭𝐲 𝐅𝐮𝐧𝐜𝐭𝐢𝐨𝐧𝐚𝐥 𝐓𝐡𝐞𝐨𝐫𝐲 (𝐃𝐅𝐓) 𝐰𝐢𝐭𝐡 𝐎𝐑𝐂𝐀 & 𝐆𝐚𝐮𝐬𝐬𝐢𝐚𝐧 and take your research skills to the next level! 🚀

📚 𝐖𝐡𝐚𝐭 𝐲𝐨𝐮’𝐥𝐥 𝐥𝐞𝐚𝐫𝐧:
✅ Geometry optimization and electronic structure analysis
✅ Frontier molecular orbital (FMO) analysis (HOMO-LUMO)
✅ Thermochemistry and energy calculations
✅ Spectroscopic analysis of molecules (IR, Raman, UV-Vis, etc.)
✅ TD-DFT, and solvation effect
✅ Hands-on training with ORCA & Gaussian software

📅 𝐃𝐮𝐫𝐚𝐭𝐢𝐨𝐧: 2 months
🕒 𝐒𝐭𝐚𝐫𝐭 𝐃𝐚𝐭𝐞: 2 July 2026
💻 𝐌𝐨𝐝𝐞: Online

Please scan the QR code to register; seats are limited. Feel free to contact us for more detailed information.

The Journal of Materials Intelligence and Computing (JMIC) is currently inviting distinguished researchers, academicians, and professionals to join our international editorial and reviewer community.

We welcome experts in materials science, computational modeling, artificial intelligence, machine learning, data science, and related interdisciplinary research fields to contribute to the development of a rigorous and impactful scholarly platform.

By joining JMIC as an Editor or Reviewer, you will have the opportunity to support high-quality scientific publishing, foster emerging research, and engage with a growing global academic network.

To express your interest, please submit your application through the following page: https://jmic.imi-bd.com/join-us
We look forward to building a strong and collaborative scientific community together.

The Institute of Materials Informatics is pleased to announce the official launch of the Journal of Materials Intelligence and Computing (JMIC) (https://jmic.imi-bd.com), a new international scholarly journal dedicated to advancing frontier research in intelligent materials, computational science, and data-driven innovation.

JMIC has been established to provide a rigorous and interdisciplinary platform for the dissemination of high-quality original research, reviews, and emerging scientific developments at the convergence of:

• Materials Science and Engineering
• Artificial Intelligence and Machine Learning
• Computational Modeling and Simulation
• Materials Informatics and Data Science
• High-Performance Computing

The journal aims to foster global scientific collaboration and accelerate the integration of advanced computational methodologies into materials discovery, design, and technological innovation.

As a publication initiative of the Institute of Materials Informatics, JMIC is committed to promoting impactful research, academic excellence, and open scientific exchange among researchers, academicians, and industry professionals worldwide.

We warmly invite the global research community to engage with JMIC through manuscript submissions, editorial collaboration, peer-review participation, and scholarly partnership.

Together, we aspire to shape the future of intelligent materials and computational discovery.

𝐀𝐫𝐞 𝐲𝐨𝐮 𝐩𝐚𝐬𝐬𝐢𝐨𝐧𝐚𝐭𝐞 𝐚𝐛𝐨𝐮𝐭 𝐃𝐅𝐓-𝐛𝐚𝐬𝐞𝐝 𝐜𝐨𝐦𝐩𝐮𝐭𝐚𝐭𝐢𝐨𝐧𝐚𝐥 𝐫𝐞𝐬𝐞𝐚𝐫𝐜𝐡?
Join our 𝐇𝐚𝐧𝐝𝐬-𝐎𝐧 𝐓𝐫𝐚𝐢𝐧𝐢𝐧𝐠 𝐨𝐧 𝐃𝐞𝐧𝐬𝐢𝐭𝐲 𝐅𝐮𝐧𝐜𝐭𝐢𝐨𝐧𝐚𝐥 𝐓𝐡𝐞𝐨𝐫𝐲 (𝐃𝐅𝐓) 𝐰𝐢𝐭𝐡 𝐌𝐚𝐭𝐞𝐫𝐢𝐚𝐥𝐬 𝐒𝐭𝐮𝐝𝐢𝐨 and take your research skills to the next level! 🚀
📚 𝐖𝐡𝐚𝐭 𝐲𝐨𝐮’𝐥𝐥 𝐥𝐞𝐚𝐫𝐧:
✅ Building crystal, molecules, and surface structures and geometry optimization
✅ Band structures, Energy gaps, DOS, PDOS, ELF, ED, MEP, & HOMO-LUMO Orbitals
✅ Thermodynamic and Chemical Properties
✅ Spectroscopic Analysis (IR, Raman, UV-Vis, etc.)
✅ Analyzing Stability using Energetic, Vibrational, Thermal, and Mechanical Studies
✅ Hands-on training with CASTEP & DMOL3 modules
🕒 𝐒𝐭𝐚𝐫𝐭 𝐃𝐚𝐭𝐞: 16 June 2026
💻 𝐌𝐨𝐝𝐞: Online
Registration link: https://www.imi-bd.com/projects/training-programs/dft-course-2
Feel free to contact us for more detailed information.

We’re excited to announce that we’re now live on our official website: https://www.imi-bd.com 🎉

Visit our new site to explore updates and more. Thank you for your continued support!

Institute of Materials Informatics Welcome Message Welcome to the Institute of Materials Informatics, a center dedicated to advancing the frontiers of computational materials science. At our core, we focus on the design and analysis of functional and nanostructured materials for next-generation applications in energy, biosensing,

Books about Molecular Dynamics simulation

There are many books on molecular dynamics simulation. You can take these books as a reference ( we are not endorsing particular books; we want to make our community aware of them as potentially useful resources):

1. Allen & Tildesley - Computer Simulation of Liquids
2. Frenkel & Smit - Understanding Molecular Simulation: From Algorithms to Application
3. Tuckerman - Statistical Mechanics: Theory and Molecular Simulation

If you want PDFs of these books, please join our Telegram channel: https://t.me/imi_bd

Invite your friends, colleagues, and co-workers to build the community and expand your knowledge beyond your limits. Happy learning ❤

Telegram: Contact @imi_bd