Upcoming events
55 upcoming events
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CCPBioSim Training Week
Annual training week introducing basic methods and concepts for beginners in biomolecular simulation, held in Sheffield, UK.
IUPAC-PSK50 International Conference on Next Horizons in Polymers: Beyond the past 50, toward the next 100
Commemorating the 50th anniversary of the Polymer Society of Korea, this international conference gathers researchers to share innovations in polymer science, engineering, advanced characterization, and AI-assisted polymer design.
Summer School on Chemometrics and Machine Learning with Python, 5th edition
A hands-on summer school on chemometrics and machine learning using Python, covering PCA, clustering, classification, and regression. It aims to provide practical skills for building and evaluating chemometric models, with a maximum of 15 participants.
Synergies between quantum and classical computing for quantum chemistry and materials science
Three days on where quantum processors can usefully complement established electronic-structure methods, covering embedding of strongly correlated fragments, sampling schemes, and the limits imposed by present-day hardware.
Machine Learning Interatomic Potentials: Bridging Model Development and Interdisciplinary Applications
A CECAM workshop in Taiwan that puts the people who build machine-learned interatomic potentials in the same room as the people who apply them, covering descriptors, message-passing models, transferability and cost.
GERMN Biennial Meeting
The 13th GERMN Biennial NMR Meeting will take place in Ciudad Real, Spain, from Oct 4 to 7, 2026. It will bring together scientists to share advances in NMR spectroscopy, including biological systems and computational methods.
14th OpenMolcas Developers' Workshop
A workshop for developers and users of the OpenMolcas quantum chemistry software to discuss new methodologies, technical developments, and future perspectives.
Fluctuations in charged and soft matter
Workshop on fluctuations in charged and soft matter, covering transport at small scales, nonequilibrium dynamics, and computational methods including machine learning.
Studying dynamics in soft matter and porous materials
CECAM Flagship School on dynamics in soft matter and porous materials, covering polymer dynamics, lattice Boltzmann, coarse-graining, and machine learning, with hands-on sessions using ESPResSo and waLBerla.
Green's function methods: the next generation 7
Workshop on advanced Green's function methods in many-body physics, including GW, vertex corrections, and beyond-GW approaches for electronic structure and excitations.
International Autumn School in Quantum Algorithms for many-body problems (IASQA)
An autumn school providing comprehensive training in quantum algorithms for many-body problems, with focus on quantum chemistry and materials science, using Python libraries such as OpenFermion, Qiskit, and myQLM.
FHI-aims Webinar: Automated Data Generation for Machine Learning Force Fields with aims-PAX and FHI-aims
A free FHI-aims webinar on Oct 7‑8 2026 about automated data generation for ML force fields using aims‑PAX and FHI‑aims, featuring a keynote by Tobias Henkes and a hands‑on session.
Ionic Conductors: From Modeling to Experiment
Second school-conference of young scientists with international participation on ionic conductors, covering energy storage, new materials, electrode-electrolyte interfaces, and theoretical modeling of ionic conductivity in solids.
All-Russian Conference 'Chemical Structure and Properties of Materials'
All-Russian conference dedicated to the 100th anniversary of Yu.T. Struchkov. Topics include new methods for studying substance structure, structure-property correlations, non-covalent interactions in functional materials design, and AI in chemistry and materials science.
XXXVII Latin American Congress of Chemistry (CLAQ 2026) / 31st Peruvian Congress of Chemistry
The XXXVII Latin American Congress of Chemistry (CLAQ 2026) focuses on green chemistry, advanced functional materials, AI in chemistry, and environmental remediation for sustainable development.
From Data to Dynamics: Machine Learning in Statistical Mechanics and Molecular Simulations
How machine learning is changing molecular simulation in practice: learning collective variables, analysing the large trajectory datasets long runs now produce, and reaching biological timescales through enhanced sampling and coarse-graining.
Discngine Meetup Vol. 6 — Large Language Models in Drug Discovery
A free two-hour online meeting with industry talks and a roundtable on how far conversational language models and multi-agent systems have actually got in pharmaceutical research, and where they still fall short.
The 13th National Symposium on Organic Solid State Electronic Processes and Chinese Symposium on Organic Optoelectronic Functional Materials
The 13th National Symposium on Organic Solid State Electronic Processes and Chinese Symposium on Organic Optoelectronic Functional Materials, organized by the Chinese Chemical Society, will be held in Tianjin, China, from October 22 to 25, 2026. It covers organic electronic and…
250th ECS Meeting
The 250th ECS Meeting, a historic milestone gathering in Calgary, Canada, uniting researchers and leaders to exchange ideas in electrochemical and solid state science, clean energy, and sustainable technology.
Chinese Chemical Society 2026 Academic Conference on Theoretical Calculation and Simulation of Soft Matter
Aiming to highlight the role of theoretical simulation and AI in polymer and soft matter science, this conference integrates theory with experiment and industry. It gathers experts in chemistry, physics, and math to discuss frontier progress and challenges in soft matter.
5th Ontologies4Chem Workshop
The 5th Ontologies4Chem Workshop fosters open discussion and collaboration on chemical ontologies and semantic infrastructure, featuring a community-driven agenda and hands-on sessions.
Advances in Computational Approaches to Antimicrobial Resistance
Symposium showcasing advances in computational approaches to antimicrobial resistance.
Vienna Ab-initio Simulation Package 2026
International online meeting on the Vienna Ab‑initio Simulation Package (VASP) 2026, featuring expert talks on electronic‑structure methods, DFT, and high‑performance computing, scheduled for 4‑5 November 2026, organized by the HPC Chair at University of Évora and EuroCC3.
19th German Conference on Cheminformatics (GCC 2026)
The nineteenth edition of the German cheminformatics meeting, with plenary and contributed lectures, research telegrams for PhD students and posters. Attendance is capped at 140 people.
Computer Modeling and Structural Analysis of Molecules (CMSAM-2026)
The CMSAM-2026 conference focuses on computer modeling and structural analysis of molecules. It will take place in Moscow from November 9 to 11, 2026, with a submission deadline of October 9, 2026.
IQCE Quantum Chemistry Exploration Symposium 2026
The IQCE Quantum Chemistry Exploration Symposium 2026 is a free-to-attend lecture meeting on quantum chemistry, organized by the Institute for Quantum Chemical Exploration and held at the University of Tokyo on November 9, 2026.
2nd Women in Chemical Sciences Conference (WICSIC 2026)
The conference focuses on transforming chemical sciences with AI, showcasing research and innovations in education and practice, while promoting women's leadership in STEM.
The 83rd Okazaki Conference on Circularly Polarized Photonics Frontier (CPPF2026)
The 83rd Okazaki Conference on Circularly Polarized Photonics Frontier (CPPF2026), organized by the Institute for Molecular Science, will be held from November 15 to 17, 2026, at the Okazaki Conference Center in Aichi, Japan. Registration is free.
Multiscale Simulation of Materials for Roads Infrastructures
This CECAM workshop focuses on multiscale modeling and simulation of road and building materials, bridging molecular dynamics, coarse-grained models, and continuum mechanics to predict performance and aging of complex composites.
Operando Nano Interfaces 2026
Triennial international conference on operando and in situ characterization of dynamic functional interfaces, focusing on catalysis, electrochemistry, batteries, and energy materials through experiment, theory, and materials design.
RNA modifications at the Crossroads of simulations, chemistry and biology
Workshop on RNA modifications using computational methods, chemistry, and biology. Topics include molecular simulations, bioinformatics, and drug design for RNA-modifying enzymes.
VIII All-Russian Conference on Structure and Energetics of Molecules
The VIII All-Russian Conference on Structure and Energetics of Molecules covers fundamental and applied topics on molecular structure, thermochemistry, molecular dynamics, theoretical spectroscopy, and AI/machine learning in chemistry. Held in Ivanovo, Russia.
Atomic Physics 2026
International workshop on atomic physics focusing on quantum correlations in molecular systems, addressing entanglement in ultrafast excitation, ionization, non-adiabatic transitions, and electronic coherence.
Japan Society for Computer Chemistry 2026 Autumn Meeting
The 2026 Autumn Meeting of the Japan Society for Computer Chemistry, co-hosted by the Japan Society for Molecular Science, will take place in Numazu, Shizuoka, from November 27 to 28, 2026. It is a key event for sharing research in computational chemistry.
New Frontiers in Nonequilibrium Statistical Physics of Glasses
CECAM flagship workshop on nonequilibrium statistical physics of glasses, focusing on vitrification, jamming, active matter, mode-coupling theory, and machine learning for kinetic arrest.
40th Molecular Simulation Symposium
The 40th Molecular Simulation Symposium, organized by the Society for Molecular Simulation, will take place December 7-9, 2026, at Kyushu University Medical School Centennial Hall. It is co-organized with the Japan Society for Molecular Science.
The 16th National Conference on Theoretical and Computational Chemistry of the Chinese Chemical Society
The 16th National Conference on Theoretical and Computational Chemistry of the Chinese Chemical Society will be held in Shenzhen from Dec 26-28, 2026. Featuring 16 topics like wavefunction theory, DFT, photochemistry, catalysis, and machine learning, it offers a platform for…
MolSim 2027
A two-week school that builds molecular simulation up from statistical mechanics, pairing lectures with hands-on sessions on simple model systems. Aimed at PhD students and postdocs in physics, chemistry and biology.
CECAM Flagship Workshop: Theory and simulation of biomolecular phase separation and aggregation
Workshop on theory and simulation of biomolecular phase separation and aggregation, covering theoretical methods, coarse-grained simulations, and machine learning approaches to understand condensates and their role in disease.
Computational electrochemistry in the era of AI
Four days on simulating electrochemical interfaces for batteries, fuel cells and electrolysers, and on what machine-learned potentials and AI-driven workflows change about how those interfaces are modelled.
International Workshop on Computational Physics and Materials Science: Total Energy and Force Methods
The long-running Total Energy and Force Methods meeting, held at ICTP in Trieste in odd years since 1987. Three days on first-principles methods for the electronic structure of molecules and materials.
13th Virtual Winter School on Computational Chemistry
The 13th Virtual Winter School on Computational Chemistry is a fully online event featuring teaching-focused lectures, workshops, and discussions across computational and theoretical chemistry.
Automating atomistic machine learning
Machine-learned interatomic potentials still lean on hand-tuning and personal experience. This workshop looks at the automated workflows, provenance and reproducible benchmarking needed to make them a routine tool.
European-Winter School on Physical Organic Chemistry "Catalysis. From Small Molecules to Complex Systems"
The European‑Winter School on Physical Organic Chemistry ‘Catalysis. From Small Molecules to Complex Systems’ is a residential winter school in Bressanone, Italy, running 31 Jan 2027 to 5 Feb 2027, bringing together leading scientists and early‑career researchers.
66th Sanibel Symposium
The sixty-sixth edition of a theory meeting running since 1961, covering the quantum theory of atoms, molecules and materials. Announced themes include machine learning, quantum computing, DFT, dynamics and electronic resonances.
Machine Learning Assisted Molecular (Thermo)Dynamics
CECAM Flagship workshop on machine learning for molecular simulations, discussing ML interatomic potentials, coarse-grained models, generative models, and challenges in transferability, reliability, and scalability.
All electron DFT with Fleur - a Hands-on Tutorial
A week of hands-on training on FLEUR, an all-electron full-potential LAPW code, with its developers present. Run at Forschungszentrum Jülich and streamed online at the same time.
Theoretical Spectroscopy Lectures
A school on the ab initio methods used to predict what spectroscopy measures, where ground-state DFT is not enough. Covers time-dependent DFT and many-body perturbation theory, including Green's function approaches.
Self-assembly of materials: merging direct experiments with simulations at different resolutions and data science techniques
Workshop on self-assembly of materials, merging experiments with multi-scale simulations and data science techniques to bridge synthesis and modeling.
Challenges in ionic fluids: Theory, simulation, and experiment
Workshop on ionic fluids, uniting theory, simulation, and experiment to tackle multiscale challenges. Topics include ML potentials, classical DFT, and advanced spectroscopic techniques.
Current Topics in Theoretical Chemistry 2027
Workshop on current topics in theoretical chemistry, focusing on density functional theories and dynamics simulations, including nonadiabatic nuclear-electronic dynamics and machine learning for catalysis.
Fracture of Amorphous Materials Across the Scales
Multidisciplinary workshop on fracture of amorphous materials across scales, focusing on communication, collaborative modeling, and FAIR data sharing.
251st ECS Meeting
The 251st ECS Meeting is a premier international gathering focusing on electrochemistry, solid state science and technology, energy storage, materials, and sensors.
Telluride School on Theoretical Chemistry
A biennial one-week summer school in theoretical chemistry. Around thirty competitively selected participants work closely with a handful of senior faculty on electronic structure, dynamics, biophysics and statistical mechanics.
Mathematics for Quantum Dynamics
Workshop on mathematical methods for quantum dynamics in chemistry, bridging mathematicians and theoretical chemists to advance numerical methods for simulating quantum systems.