Computational methods and artificial intelligence support the research agenda of this session at the World Nanotechnology Conference. Topics include first-principles calculations, molecular dynamics, multiscale modeling, AI-guided materials design, nanoinformatics and high-throughput or autonomous discovery. Discussions will examine approaches to predicting nanoscale structures, properties, interactions and performance, together with opportunities to connect simulations and experiments. Attention will also be given to data quality, uncertainty, interpretability, reproducibility and validation, keeping the session open to both established computational methods and emerging data-driven approaches.
Submissions are welcome on theoretical frameworks, simulation tools, computational workflows, machine learning models, research datasets and experimentally validated predictions. Methodological advances and applications to specific nanomaterials, devices or biological systems are equally encouraged. Computational scientists, physicists, chemists, materials researchers, data scientists, software developers and students are invited to exchange methods and explore collaborations between computational and experimental research communities.
Nobiletin, a biologically active polymethoxyflavone derived from citrus peel has attracted considerable attention due to its demonstrated antioxidant, anti-inflammatory and anticancer properties.…
The Eucommia ulmoides gum (EUG) is an isomer of natural rubber (NR). The overall properties are enhanced by the unique trans-configuration. According to reported articles, the EUG has excellent…
The energy transfer and radar waves are effective thanks to optoelectronic materials. In recent technology, Helicenes, marine sponge components and helical molecules are ideal candidates for the…
Physical techniques for surface modification of plastics use surface-active agents, which can self-assemble at the surface. Many techniques, which are important in modern technologies, use polymer…
Physical techniques for surface modification of plastics use surface-active agents, which can self-assemble at the surface. Many techniques, which are important in modern technologies, use polymer…
Participants can earn 1 CPD credit for each hour of attendance.
Oral and poster slots for original Computational Nanotechnology, Modeling & AI work, reviewed by the scientific committee.
Meet nanotechnologists, researchers, scientists and engineers from around the world across three days.
In-person and virtual registrations include an electronic copy of the abstract book.
Plenary lectures from leading voices shaping Computational Nanotechnology, Modeling & AI 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 Computational Nanotechnology, Modeling & AI track is a dedicated stream within World Nano 2027 covering the latest research, innovation, and best practice in Computational Nanotechnology, Modeling & AI. It brings together researchers, educators, and practitioners for oral presentations, posters, and discussion.
Nanotechnology researchers, scientists and engineers, educators and students with an interest in Computational Nanotechnology, Modeling & AI 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.
Yes. World Nano 2027 is a hybrid conference — attend the Computational Nanotechnology, Modeling & AI 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.
