About the Computational Materials Science and Multiscale Modelling Session
This session examines computational approaches used to understand, predict and design materials across atomic, microscopic and macroscopic scales. It includes density functional theory, molecular dynamics, finite-element analysis, phase-field modelling, multiphysics simulation, multiscale methods and computational evaluation of materials processing and performance.
Abstract Scope and Participation
Computational scientists, materials researchers, engineers and interdisciplinary teams are invited to participate. Abstracts may address theoretical methods, simulation tools, structure–property relationships, process modelling, experimental validation and computational strategies that accelerate materials discovery, optimization and industrial development.
Topics Covered in Computational Materials Science and Multiscale Modelling
Topic 01
Atomistic, Molecular and Continuum Modelling
Topic 02
Density Functional Theory and Molecular Dynamics
Topic 03
Multiscale and Multiphysics Simulation
Topic 04
Computational Design and Discovery of Materials
Topic 05
Modelling of Structure-Property Relationships
Topic 06
Simulation of Processing and Material Performance
Featured Speakers — Computational Materials Science and Multiscale Modelling 2027
Vasily Lutsyk
Institute of Physical Materials Science (SB RAS)
Digital twins of Li,La(Pr),K||Cl & Ag-Cu-Ni(Pb) phase diagrams
Recent Research Presented at Computational Materials Science and Multiscale Modelling Sessions
A validated machine-learning interatomic potential framework for understanding reactive hematite-water interfaces toward next-generation functional materials
Reactive oxide–water interfaces play a fundamental role in photocatalysis, electrochemical energy conversion, corrosion, and environmental remediation. However, atomistic understanding of the…
Digital twins of Li,La(Pr),K||Cl & Ag-Cu-Ni(Pb) phase diagrams
At the 11 Nanotechnology Conference and 9 Conference on materials science and engineering (23-25 March 2026, HYBRID EVENT) the novel tool of materials science was announced: “Computer 3D Models of…
Investigation on forming limits under complex loading paths considering intermediate annealing: Experiments and multi-scale simulations
Multi-stage forming processes typically involve complex loading and annealing sequences that substantially alter the microstructure and macroscopic formability. The process-induced microstructural…
From electrons to engineering: How DFT-based simulations are transforming materials design
Density Functional Theory (DFT)–based simulations have fundamentally reshaped the way materials are designed, understood, and optimized, enabling a direct connection between electronic-scale…
Modeling phase crystallization in Ge-rich Ge-Sb-Te PCRAMs
Ge-rich Ge-Sb-Te (GGST) alloys are already integrated into the complementary-metal-oxide-semiconductor (CMOS) technology for industrial phase-change random access memory (PCRAM) production. This new…
Effect of Ag on the precipitation stability in Al-Mg-Si-Ag alloy: First-principles calculations, Calphad modeling and experimental validation
Al-Mg-Si-Ag alloys offer a desirable balance between formability and bake-hardening potential, making them attractive for advanced engineering applications. However, complete crystal structure…
Related Scientific Sessions at Materials 2027
Why Attend the Computational Materials Science and Multiscale Modelling Conference 2027
Earn CPD Credit
Sessions are CPD-accredited; certificates issued to every registered delegate within two weeks of the conference.
Present Your Research
Oral and poster slots for original Computational Materials Science and Multiscale Modelling work, reviewed by the scientific committee.
Network Globally
Meet materials researchers, engineers, and academics from around the world across three days.
Publish & Get Indexed
Accepted abstracts appear in the indexed conference proceedings with a citable DOI.
Learn from Keynotes
Plenary lectures from leading voices shaping Computational Materials Science and Multiscale Modelling research and practice.
Hybrid Flexibility
Attend in person in Singapore or join virtually — same programme, same certificate.
Join Materials 2027 for the Computational Materials Science and Multiscale Modelling track
Oral and poster slots for your work — in person in Singapore or online. Not presenting? Attend as a delegate to learn from the field.
Computational Materials Science and Multiscale Modelling Conference 2027 — FAQs
What is the Computational Materials Science and Multiscale Modelling track at Materials 2027?
The Computational Materials Science and Multiscale Modelling track is a dedicated stream within Materials 2027 covering the latest research, methods, and applications in Computational Materials Science and Multiscale Modelling. It brings together researchers, engineers, and academics for oral presentations, posters, and discussion.
Who should attend the Computational Materials Science and Multiscale Modelling sessions?
Materials researchers, engineers, educators, doctoral students, and R&D leaders with an interest in Computational Materials Science and Multiscale Modelling are all welcome — whether presenting or attending.
Can I present my research in the Computational Materials Science and Multiscale Modelling track?
Yes. Submit an abstract for oral or poster presentation. All submissions are peer-reviewed by the scientific committee; accepted abstracts appear in the indexed proceedings.
Is virtual attendance available for Computational Materials Science and Multiscale Modelling sessions?
Yes. Materials 2027 is a hybrid conference — attend the Computational Materials Science and Multiscale Modelling track in person in Singapore or join live online, with on-demand access afterward.
Join the Materials 2027 delegation
Singapore · March 18–20, 2027· Hybrid · in-person & virtual
Register as Delegate →
Attend without presenting.