Upcoming events
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Vatolin Readings: Metallic and Slag Melts
Conference dedicated to the 100th anniversary of the birth of academician N. A. Vatolin, focusing on modeling and experimental study of the structure and properties of disordered systems in the condensed state, metallurgical processes, and the relationships between liquid, crystalline, nanocrystalline, and amorphous states.
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 2nd Next-Generation Molecular Spin Research Meeting
The 2nd Next-Generation Molecular Spin Research Meeting, organized by the Next-Generation Molecular Spin Research Group, will be held at the University of Tokyo from November 13 to 14, 2026. This symposium focuses on molecular spin science, spintronics, and quantum materials.
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.
Young Modellers’ Forum (YMF)
The Young Modellers' Forum (YMF) is the annual flagship event of the MGMS, marking its 30th edition in 2026. It will be held on 20 November at Lady Margaret Hall, University of Oxford. The forum is a free-to-attend event for PhD students working in computational chemistry and biology, featuring 12 oral presentations, 12 poster presentations with lightning talks, and prizes for the best presentations. Abstract submission deadline is 16 October 2026.
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.
34th Annual Northern Universities Meeting on Chemical Physics (ANUMOCP)
Registration is now open for the 34th Annual Northern Universities Meeting on Chemical Physics (ANUMOCP), held at Durham University on 25 November 2026. The event features talks from PhD students and postdocs, and a poster session. Registration costs £10, payable in cash on the day, and includes lunch and refreshments. The registration deadline is midday on 8 November 2026.
Building Molecular Systems for MD
A two-day hands-on workshop on preparing biomolecular systems for molecular dynamics simulations. Topics include protein structure preparation, membrane assembly, peptide fibril generation, and DNA system building using specialized tools. Open to students and researchers; limited to 25 participants.
Japan Society for Computer Chemistry 2026 Autumn Meeting
The 2026 Autumn Meeting of the Japan Society for Computer Chemistry, co-sponsored by the Japan Society for Molecular Science, will take place in Numazu, Shizuoka, from November 27 to 29, 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.
ADIS 2026 Workshop - Defect phase diagrams enabled by modern experimental, computational and AI technologies
Workshop on defect phase diagrams linking thermodynamic phase descriptions with crystal defect control. Features tutorial-style lectures by leading experts, contributed talks, poster sessions, and hands-on hackathons. Limited to 45 in-person participants, targeting PhD students, post-docs, and scientists working on materials defects and defect phase diagrams.
TYC20 – Celebration of the Thomas Young Centre at 20
Two-day symposium celebrating 20 years of the Thomas Young Centre, covering electronic structure theory, machine learning, functional materials, biomaterials, and future materials modelling.
Winter School on Reaction Paths and Transition States
The 40th Helsinki Winter School in Theoretical Chemistry covers reaction paths and transition states. Topics include finding reaction paths and modeling transition states using quantum chemistry methods. Features five expert lecturers, poster sessions, and contributed talks. Open to students, postdocs, and professors. No registration fee.
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.
Texas Quantum Winter School
A week-long residential winter school on open quantum systems and quantum information in the chemical sciences, held near Austin, Texas. The 2027 special topic is quantum optics and cavities, with lectures on quantum information, polaritons, tensor network methods, and AI in science. Includes hands-on sessions, poster sessions, lodging, and meals on site.
MolSim 2027
MolSim 2027 is a two-week school focusing on basic and advanced molecular simulation methods for PhD candidates and postdocs in physics, chemistry, and biology. The program combines lectures and hands-on exercises, covering statistical mechanics, Monte Carlo, molecular dynamics, free energy calculations, rare events, machine learning, and spectroscopic properties of condensed-phase systems. Organized by the Computational Chemistry group at the University of Amsterdam, part of the Amsterdam Center for Multiscale Modelling, it is an activity of the Dutch node of CECAM (CECAM-NL).
Computational Methods for Defects in Solids Workshop
A workshop bringing together experts and early-career researchers to discuss theoretical and computational advances in modelling defects in solids. Topics include computational software for defect modelling, machine-learned potentials, beyond-DFT methods, and applications in energy conversion, catalysis, and quantum information. Abstracts and registration are open.
CECAM Flagship Workshop: Theory and simulation of biomolecular phase separation and aggregation
Workshop on theory and simulation of biomolecular phase separation and aggregation, covering multi-scale theoretical methods, atomistic and coarse-grained simulations, and machine learning approaches to model condensates. Topics span condensate biochemistry and physics, the cytoplasm as a complex emulsion, condensate interfaces, and out-of-equilibrium phase separation. It aims to connect methods across scales to understand condensate functions and disease links, fostering collaboration among physical chemists, soft matter physicists, bioinformaticians, and biologists.
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.
Stochastic Dynamics in Natural and Artificial Systems
The CECAM Flagship Workshop on Stochastic Dynamics in Natural and Artificial Systems, held in Israel from January 11 to 14, 2027. This multidisciplinary workshop integrates insights from physics, chemistry, biology, and engineering to study stochastic processes, anomalous diffusion, non-equilibrium statistical mechanics, and stochastic resetting in biological and artificial systems. It aims to bring together researchers to discuss theoretical, computational, and experimental advances in these areas.
International Workshop on Computational Physics and Materials Science: Total Energy and Force Methods
Renowned biennial workshop on recent progress in electronic structure methods and their applications, bridging the large-scale Psi-k conference and smaller single-method workshops. Held at ICTP, Trieste since 1987 (the series began in 1984), it covers DFT, TDDFT, GW-BSE, DMFT, quantum Monte Carlo, DMRG, high-throughput workflows, and machine learning, with a focus on challenging applications to complex materials, interfaces, liquids, and low-dimensional systems in condensed matter physics, chemistry, and materials science.
Royal Society of Chemistry Theoretical Chemistry Group Graduate Student Meeting
A one-day graduate student meeting organized by the RSC Theoretical Chemistry Group, showcasing computational and theoretical chemistry research. It features a plenary talk, contributed talks, and a poster session, with the Coulson Prize awarded for the best presentation. Travel bursaries and overnight guest rooms are available for students travelling from afar.
F-Electron Materials – from Fundamental to Functional
This workshop covers quantum materials, particularly f-electron systems, exhibiting exotic behaviors like superconductivity, topological states, and strong correlations. It brings together international scientists from the US, Canada, Germany, and Austria to bridge the transatlantic divide, foster cross-disciplinary collaboration between chemistry and physics, and address key open questions in fundamental and functional quantum 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
This workshop focuses on automating machine-learned interatomic potentials (MLIPs) to make them a routine, accessible tool in computational materials modelling. It covers integrating MLIPs into automation frameworks, tackling challenges like active learning, GPU training, and data provenance. Topics include automating data selection, descriptors, and regression. Key discussions address which parts of MLIP development should be automated, interfacing with DFT infrastructure, the role of pre-trained foundation models and AI agents, and future applications.
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.
Detours and Shortcuts Outside Equilibrium
Workshop on anomalous relaxation, the Mpemba effect, and shortcuts to equilibrium, connecting classical/quantum thermalization with optimal control and information thermodynamics.
66th Sanibel Symposium
The sixty-sixth Sanibel Symposium, a theory meeting running since 1961 on the quantum theory of atoms, molecules and materials. 2027 themes span machine learning and quantum computing, density functional theory, quantum dynamics, sampling of complex energy landscapes, electronic resonances, a retrospective on conventional computers in molecular quantum mechanics, magnetic molecules and materials, and electronic structure in gas-phase, condensed matter, and biochemical contexts.
Machine Learning Assisted Molecular (Thermo)Dynamics
CECAM Flagship workshop on machine learning for molecular simulations, covering ML interatomic potentials, coarse-grained models, and generative models. It brings together researchers from computational chemistry, physics, applied maths, and ML to discuss advances and key challenges in transferability, reliability, scalability, and bridging timescales, connecting short-time dynamics with long-time conformational sampling and kinetic observables.
All electron DFT with Fleur - a Hands-on Tutorial
The workshop offers hands-on training on the FLEUR code, an all-electron full-potential linearized augmented-plane-wave (FLAPW) implementation. Density functional theory (DFT) is the standard for predicting electronic, magnetic, and structural properties of materials, and FLAPW is a robust, precise method for DFT calculations on crystals, surfaces, and thin films. The training is designed to help users master these techniques and interact directly with the developers of the code.
Theoretical Spectroscopy Lectures
This school covers ab initio methods for predicting spectroscopy beyond ground-state DFT, focusing on Time-Dependent Density-Functional Theory (TDDFT) and Many-Body Perturbation Theory (MBPT), including Green's function methods. It also introduces modern topics like machine learning for valence and core-level spectroscopy, X-ray spectroscopies (including RIXS), and automated workflows for ab initio simulations. The school combines theoretical lectures with hands-on computational sessions using state-of-the-art codes.
Self-assembly of materials: merging direct experiments with simulations at different resolutions and data science techniques
Workshop on the self-assembly of materials, focusing on bridging synthesis and modeling by merging direct experiments with multi-scale simulations and data science. It addresses the serendipitous nature of materials discovery and the lack of synthesis condition data. The event aims to summarize computational developments and discuss key challenges, including bridging simulations and experiments, tackling the multi-scale nature of self-assembly, and merging simulation with data science to understand molecular-level mechanisms of nucleation and phase transitions.
QLife: Quantum Sensing in the Life Sciences (880. WE-Heraus-Seminar)
The seminar brings together leading scientists and early-career researchers at the intersection of quantum sensing and the life sciences, representing a wide range of disciplines. The aim is to discuss recent experimental and theoretical advances and explore novel routes to deploy quantum technologies in the life sciences, use biomolecules as quantum sensors, and address key problems in medicine. These questions will be addressed through perspective talks, research presentations, hot-topic talks, and extended joint discussion sessions.
Challenges in ionic fluids: Theory, simulation, and experiment
Ionic fluids, such as electrolyte solutions and ionic liquids, are essential in biological and physical sciences but are challenging to understand due to their multiscale nature and the competition between short-range steric and long-range Coulomb interactions. This workshop brings together researchers in theory, simulation, and experiment to explore how recent advances—such as machine-learned potentials, classical density functional theory, and advanced spectroscopic techniques—can help tackle these major outstanding issues.
Current Topics in Theoretical Chemistry 2027
Workshop on current topics in theoretical chemistry, prioritizing areas that enhance fundamental understanding and contribute to academic communities in Taiwan and the broader Asian region. It highlights two critical fields: density functional theories, addressing fractional charge and spin errors; and dynamics simulations for revealing catalysis, solvation, and complex processes, including machine-learning-enabled simulations and nonadiabatic nuclear-electronic dynamics for coupled electronic-nuclear motions. It aims to share advanced research.
Machine Learning for Atomistic Simulations of Materials
This summer school focuses on the theoretical foundations and practical implementation of machine learning for atomistic simulations of materials. Lectures cover the construction of ML interatomic potentials, representations of atomic environments, learning algorithms, validation strategies, and applications to diverse materials classes, emphasizing the integration of ML with established atomistic simulation methods.
Chemical and materials machine learning school (CAMMLs)
An international training course on machine learning for materials and molecular simulations, targeting PhD students and industrial applicants. It covers the basics of machine learning, machine learning interatomic potentials, and graph neural networks, featuring talks, practical sessions, and a poster session.
All-Russian Conference on Organic Electronics, Photonics, Photochemistry and Radiation Chemistry 'Electronic and Photonic Processes in…
All-Russian conference on organic electronics, photonics, photochemistry, and radiation chemistry, dedicated to the memory of Professor Anatoly Veniaminovich Vannikov. Covering radiation chemistry, photochemistry, and advanced organic and hybrid materials. Moscow, April 6–9, 2027.
APS Global Physics Summit (Session 15.01.11: Interfacial charge, spin, and chemical dynamics in energy and quantum materials)
Interfacial charge, spin in energy and quantum materials, APS Global Physics Summit Apr 11-16 2027, Atlanta, GA, USA Dear colleagues, I would like to invite you to submit your abstract for the session on "Interfacial charge, spin, and chemical dynamics in energy and quantum…
Full announcement
Interfacial charge, spin in energy and quantum materials, APS Global Physics Summit Apr 11-16 2027, Atlanta, GA, USA Dear colleagues, I would like to invite you to submit your abstract for the session on "Interfacial charge, spin, and chemical dynamics in energy and quantum materials" (session 15.01.11) at the 2027 APS Global Physics Summit, to be held April 11-16 2027 in Atlanta Georgia, USA. A brief description of the Focus Session is below. I look forward to seeing you in Atlanta, Oliver Monti University of Arizona A deep understanding of spin, charge and energy transfer across materials interfaces is crucial for developing next-generation energy storage and conversion systems as well as novel electronic, spintronic and opto-electronic devices. These interfaces are the drivers of spin injection, charge separation, and charge transfer, which are essential for the functionality of the systems and devices. They are inherently complex and evolve under device operation, often constituting bottlenecks for device performance and sometimes leading to materials degradation and failure. The dynamic evolution of the atomic structure at the materials interface coupled with electron dynamics governs energy, spin, and charge transport through the interface. Developing an understanding of these interfacial dynamics is challenging both for imaging and spectroscopy in experiments and for computational simulations due to the multiple temporal and spatial scales as well as the types of interactions involved. This session highlights recent progress in theory and simulation methods and their application to modeling dynamics at solid-solid interfaces, including 2D materials, topological materials, chirality-induced spin selectivity, and solid-gas phase interfaces of relevance to energy and quantum materials, as well as experimental studies to be interpreted through or integrated with such computational approaches. We expect this session to bring together contributions from research on method development and its application to the simulations of charge, spin, and chemical dynamics and energy, charge, and spin transport through materials interfaces, including those of organic and hybrid organic/inorganic structures and devices. This session will include theory and method development for electron-phonon coupling, spin-orbit interactions, and excited state dynamics for solid surfaces and interfaces, and for machine-learning models for accelerated prediction of complex interfacial dynamics including non-adiabatic processes and quantum coherent phenomena. It will also include experimental studies that elucidate the spin and charge dynamics and transport at the interfaces. To join or leave the molecular-dynamics-news email list, go to: http://www.jiscmail.ac.uk/lists/molecular-dynamics-news.html
Polaritonics Minisymposium at the 2027 APS Global Physics Summit
The Polaritonics Minisymposium, organized by the APS Division of Chemical Physics at the 2027 APS Global Physics Summit, brings together recent advances in molecular polaritons across molecular physics, chemical physics, photonics, and spectroscopy. It welcomes contributions on exciton-polaritons, polariton transport, vibrational polaritons, polariton chemistry, nanophotonic and plasmonic platforms, chiral light-matter interactions, and theoretical approaches to collective light-matter coupling.
Fracture of Amorphous Materials Across the Scales
Workshop on reducing carbon emissions in scientific computing by applying the 4R strategy (Refuse, Reuse, Reduce, Repair) to the multiscale simulation of fracture in amorphous materials. It addresses challenges in interdisciplinary communication, collaborative multiscale modeling, and standardized FAIR data sharing through plenary talks, brainstorming, and hands-on tutorials.
Multi-Species Trapped-Ion Quantum Logic (WE-Heraus-Seminar)
This seminar brings together experts to explore synergies in multi-species trapped-ion quantum systems. Topics include single-ion optical clocks, quantum logic spectroscopy of highly charged and molecular ions, quantum computing with multiple species to mitigate crosstalk and enable sympathetic cooling, and quantum logic detection of chemical reactions. By addressing challenges like mixed-species crystal dynamics, we aim to foster collaboration and identify synergies in quantum control of internal and external degrees of freedom.
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.
Advances in Nanoferroic Phenomena
International conference on nanoferroic phenomena, covering ferroelectric, ferroelastic, multiferroic systems, with emphasis on synthesis, characterization, and theoretical modeling including first-principles calculations, molecular dynamics, and phase-field modeling.
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.
6th European Conference on Physical Chemistry (ECPC27)
The 6th European Conference on Physical Chemistry (ECPC27), organised under the EuChemS Division of Physical Chemistry, brings together researchers to discuss advances in physical chemistry. The scientific programme covers theory, simulation and machine learning; molecular spectroscopy, photochemistry and ultrafast processes; surfaces, interfaces and nanomaterials; colloids, soft matter, biophysical chemistry; electrochemistry; energy; green chemistry; photocatalysis, catalysis; and emerging interdisciplinary areas.
Electronic Properties of Low-dimensional Quantum and Nanomaterials for Future Technology Platforms
Serbian-German WE-Heraus seminar on the electronic properties of low-dimensional quantum and nanomaterials. Experts discuss Weyl and Dirac materials, topological insulators, layered materials, nanowires, quantum dots, and moiré systems, whose extreme energy quantization, helicity, chirality, and linear energy bands make them candidates for future semiconductor, information, and biotechnology platforms. The interdisciplinary workshop aims to identify the pathways, challenges, and solutions needed to integrate these materials into novel technology platforms.
EuroChemBio 2027
The inaugural EuroChemBio congress in Milan, uniting the European Chemical Biology Symposium and the EFMC International Symposium on Chemical Biology to foster collaboration and innovation in chemical biology.
Molecules for Quantum Technologies
Molecules offer a versatile and controllable platform for quantum technologies, with long-lived states, coherent light interactions, and tunable properties for sensing, networking, and information processing. This seminar brings together experimentalists, chemists, and theorists to address key challenges like decoherence, qubit addressability, system integration, and molecular design. It aims to establish a shared vocabulary, foster cross-disciplinary collaboration, outline a roadmap, and integrate early-career researchers into the emerging field of molecular quantum technologies.
Mathematics for Quantum Dynamics
This workshop brings together computational and theoretical chemists with applied mathematicians in numerical analysis and scientific computing to advance numerical methods for quantum dynamics in chemistry. It covers essential topics like spectroscopy, observables, nuclear motion representations, vector space theory, error analysis, variational principles, spectral methods, tensor contraction, semiclassical techniques, and Gaussian basis functions, aiming to bridge language barriers and foster long-lasting interdisciplinary collaborations.