Modeling functional materials is a multifaceted and dynamic field at the forefront of scientific research, encompassing a wide array of disciplines such as physics, chemistry, materials science, and engineering. At its core, this endeavor involves the application of theoretical frameworks, computational methods, and advanced simulations to understand, predict, and optimize the properties and behavior of materials with specific functions. From semiconductors and superconductors to catalysts and biomaterials, the scope of functional materials is vast and diverse. Researchers in this field employ a spectrum of modeling techniques, ranging from first-principles quantum mechanical simulations to classical molecular dynamics and mesoscale modeling. These methods allow scientists to delve into the microscopic and nanoscopic realms, unraveling the intricacies of atomic and molecular interactions that govern material functionality. Quantum mechanical calculations, rooted in principles like density functional theory (DFT), enable precise predictions of electronic structures, band gaps, and charge transport properties crucial for designing electronic devices and semiconductor materials. Furthermore, computational chemistry techniques provide valuable insights into the thermodynamics and kinetics of chemical reactions, aiding in the development of efficient catalysts and environmentally friendly processes.
Density Functional Theory (DFT)–based simulations have fundamentally reshaped the way materials are designed, understood, and optimized, enabling a direct connection between electronic-scale…
Sessions are CPD-accredited; certificates issued to every registered delegate within two weeks of the conference.
Oral and poster slots for original Modeling functional materials work, reviewed by the scientific committee.
Meet materials researchers, engineers, and academics from around the world across three days.
Accepted abstracts appear in the indexed conference proceedings with a citable DOI.
Plenary lectures from leading voices shaping Modeling functional materials research and practice.
Attend in person in Singapore or join virtually — same programme, same certificate.
Oral and poster slots for your work — in person in Singapore or online. Not presenting? Attend as a delegate to learn from the field.
The Modeling functional materials track is a dedicated stream within Materials 2027 covering the latest research, methods, and applications in Modeling functional materials. It brings together researchers, engineers, and academics for oral presentations, posters, and discussion.
Materials researchers, engineers, educators, doctoral students, and R&D leaders with an interest in Modeling functional materials are all welcome — whether presenting or attending.
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.
Yes. Materials 2027 is a hybrid conference — attend the Modeling functional materials track in person in Singapore or join live online, with on-demand access afterward.
Singapore · March 18–20, 2027· Hybrid · in-person & virtual
Attend without presenting.
