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Conference Tracks

Track A
Advances in Fundamentals of Theory, Computation and Simulation of Materials Systems: Classical to Quantum

A-1 - Ab-initio methods for bulk and reduced-dimensional materials (density functional, many-particle interacting Green’s functions, quantum Monte Carlo, quantum chemistry techniques)
A-2 - Model Hamiltonian approach for the study of electron-electron and electron-phonon interactions in clusters and chains
A-3 - Molecular dynamics, Langevin dynamics, stochastic and finite element methods
A-4 - Advances in multiscale computation methods, from the atomistic to the mesoscopic and continuum levels
A-5 - Ultrafast excitation and decay processes in materials

Track B
Computational Mesoscale Structure and Physico-chemical Property Evolution of Solid Materials

B-1 - Databases of physico-chemical properties of materials
B-2 - Theory of phase transitions
B-3 - Strain effect on phase equilibria, phase transitions, and mesoscale domain states
B-4 - Size effect on phase equilibria, phase transitions, and mesoscale domain states
B-5 - Structural, electric, and magnetic domain structures and their evolution under external stimuli
B-6 - Thermodynamics of mesoscale states and phase transitions
B-7 - Thermal, mechanical, electric, magnetic, and multifunctional properties of mesoscale structures

Track C
Computational Tools in Materials Synthesis and Processing Science

C-1 - 0D, 1D and 2D nanomaterials and nanostructures
C-2 - Soft condensed matter systems
C-3 - Powders, granular materials, single crystal growth
C-4 - Micro- and meso-porous materials
C-5 - 3D-bulks and composites
C-6 - Thin/thick films, layered structures and surface processing
C-7 - Wetting and adhesion mechanisms in materials joining
C-8 - Additive manufacturing of multiscale and multi-material structures
C-9 - Data driven, machine learning to accelerate and optimize materials processing

Special Session C-10
Exploiting Computational Tools in Materials Manufacturing and in the User Industry

C-10.1 - Metal and metal alloys manufacturing and user industry
C-10.2 - Ceramics, glass, cement and user industry
C-10.3 - Polymers and related materials and user industry

Track D
Computer Modelling and Simulation of Materials Properties

D-1 - Materials for electronics, opto-electronics and photonics (including organic and inorganic semiconductors, halide perovskites, layered materials, soft and bio materials)
D-2 - Energy generation and storage (including materials for supercapacitors, photovoltaics, thermoelectrics, ferroelectrics, piezoelectrics, batteries, osmosis, fuel cells, thermal energy)
D-3 - Quantum information science (including defective solids, superconducting systems, trapped ions, magnets, molecular systems, topological defects)

Track E
Computational Mechanics of Materials Across the Scales

E-1 - Computational Mechanics of Nanoscale Materials
E-2 - Computational Mechanics in Nanodevice Applications
E-3 - Computational Mechanics at Mesoscopic/Macroscopic Scale
E-4 - Computational Mechanics in Simulated Operating Conditions
E-5 - Advances in Theory and Computational Methods

Track F
Designing Materials for Sustainable Energy Applications

F-1 - Electrochemical fuel cells
F-2 - Rechargeable electrochemical batteries, supercapacitors
F-3 - Photovoltaics
F-4 - Thermoelectrics
F-5 - Solar fuels
F-6 - Catalysts and catalytic processes for energy applications

Track G
Big Data, Artificial Intelligence and Machine Learning Methods for Accelerated Materials Discovery and Advancement

G-1 - Advances in machine learning principles, algorithms, descriptors and databases, machine learning approaches, their interpretability and potential pitfalls
G-2 - Virtual materials design and evaluation
G-3 - Integrating machine learning and simulations for materials design and manufacturing
G-4 - High throughput materials characterization and testing
G-5 - Big data, machine learning and artificial intelligence moving towards next generation smart manufacturing and sustainable development

Track H
Advances in Materials and Devices Research for Digital, Neuromorphic and Unconventional Computing

H-1 - Design and synthesis of memory and memristive materials for future computing (semiconductors, dielectrics, ferroelectrics, magneto electrics, multiferroics, organic materials and magnetic nanostructures, phase change materials, graphene and other 2D materials, nanowires, magnetic skyrmions, …)
H-2 - Emerging non-volatile memory devices (RRAM, PCRAM, MRAM, STT-MRAM, Fe-RAM and ferroelectric FET, ferroelectric tunnel juntions (FTJ), Electrochemical Random-Access Memory (ECRAM), ....)
H-3 - In-memory, neuromorphic and unconventional computing: devices, algorithms, circuits
H-4 - Theory, modelling and simulation of materials and devices
H-5 - 1D, 2D materials for memory and logic devices, and interconnections (graphene, MoS2, Xenes materials, boron nitride, topological insulators, carbon nanotubes,…)
H-6 - Advances in micro/nanofabrication and in integration technologies, including materials for heterogeneous integration towards edge applications
H-7 - New developments in characterization methods for materials and devices

Track I
Towards Scalable Quantum Computing: Theory, Materials and Technology Challenges

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