Physical and Theoretical Chemistry

About Conference

Welcome to the 14th World Congress on Physical and Theoretical Chemistry, scheduled for January 27–28, 2027, in Paris, France. The central theme of this edition is “Decoding Molecular Behavior Through Fundamental Principles, Digital Chemistry, and Scientific Collaboration.” The congress will focus on the theories, measurements, computational tools, and practical applications that explain how chemical systems are structured, energized, and transformed.

This international gathering will bring together chemists, physicists, computational scientists, engineers, educators, researchers, and industry professionals to discuss recent developments in molecular energetics, electronic structure, spectroscopy, chemical equilibrium, reaction science, materials chemistry, electrochemistry, photochemistry, and data-driven chemical research. The programme will emphasize the relationship between theoretical predictions, experimental observations, and technological applications.

Participants will have the opportunity to present original work, exchange technical knowledge, discuss emerging research tools, and establish collaborations with experts from academic, industrial, and government institutions. Join us in Paris to explore new directions in physical and theoretical chemistry and contribute to the advancement of molecular science, energy research, materials innovation, and sustainable chemical technology.

Why to Attend

The 14th World Congress on Physical and Theoretical Chemistry 2027 offers an international platform for understanding the latest developments in fundamental and applied chemical science. The programme will feature new perspectives on molecular structure, chemical energy, computational prediction, reaction mechanisms, spectroscopy, materials behaviour, and the use of digital technologies in chemical research.

Across two engaging days, attendees will be able to present their findings, participate in scientific discussions, learn from specialists in related disciplines, and identify opportunities for research and industrial cooperation. The congress is suitable for senior scientists, academic professionals, industry experts, educators, research fellows, and students who want to expand their knowledge and contribute to the future of physical and theoretical chemistry.

Target Audience

Physical Chemists

Theoretical Chemists

Quantum Chemistry Researchers

Computational Chemistry Scientists

Chemical Physicists

Molecular Modelling Specialists

Spectroscopy Researchers

Thermodynamics Scientists

Chemical Kinetics Researchers

Reaction Dynamics Specialists

Materials Chemists

Nanochemistry Researchers

Electrochemists

Photochemists

Surface Chemistry Scientists

Catalysis Researchers

Energy Storage Scientists

Battery and Fuel Cell Researchers

Polymer and Soft Matter Scientists

Biophysical Chemists

Pharmaceutical Researchers

Medicinal Chemists

Chemical Engineers

Laboratory Scientists

Scientific Instrumentation Companies

Chemical Software Developers

Data Scientists in Chemistry

Artificial Intelligence Researchers

Research and Development Professionals

Industrial Chemists

Materials Technology Companies

Academic Professors and Lecturers

University Researchers

Science Educators

Postdoctoral Fellows

Doctoral Candidates

Graduate Students

Undergraduate Chemistry Students

Research Institutes

Government Science Agencies

Technology Transfer Professionals

Innovation Managers

Scientific Publishers

Chemistry Associations and Societies

Environmental Chemistry Researchers

Sustainable Chemistry Professionals

Chemical Consultants

Entrepreneurs and Start-up Founders

Research Funding Organizations

Investors in Chemical Technology

Sessions & Tracks

Track 1: Machine-Learned Potentials and Data-Driven Simulation at Scale

This track explores the construction, training and deployment of machine-learned interatomic potentials for atomistic simulation. Presentations may cover equivariant and message-passing architectures, descriptor design, active learning, and the generation of quantum-chemical training data. Researchers will discuss transferability across chemical space, uncertainty quantification, and the detection of extrapolation beyond training domains. The combination of learned potentials with enhanced sampling, coarse-graining and long-timescale dynamics will be emphasized. Applications may include catalysis, energy materials, electrochemistry, reactive chemistry and geochemistry. The track will examine how data-driven simulation extends first-principles accuracy to scales and timescales previously unreachable, and how such models should be validated and reported.

Track 2: Quantum Computing and Quantum Simulation for Chemistry

This track explores the application of quantum computing and quantum simulation to chemical problems. Presentations may cover fermionic encodings, variational and subspace algorithms, quantum phase estimation, and error mitigation in the pre-fault-tolerant era. Researchers will discuss resource estimation, qubit and circuit-depth requirements, and the benchmarking of quantum results against established classical methods. The combination of quantum algorithms with classical embedding and hybrid workflows will be emphasized. Applications may include strongly correlated systems, transition-metal complexes, catalysis, excited states and photochemistry. The track will examine how far quantum advantage has been demonstrated in chemistry, and what algorithmic and hardware developments are required before it becomes routine.

Track 3: Molecular Qubits, Spin Chemistry and Chirality-Induced Spin Selectivity 

This track explores molecular platforms for quantum information, spin-selective chemistry, and chirality-driven spin effects. Presentations may cover molecular qubits and coherent spin manipulation, spin–phonon coupling and decoherence mechanisms, radical-pair reactions and magnetic field effects on reaction yields. Researchers will discuss spin-selective electron transfer, chirality-induced spin selectivity in molecular and interfacial systems, and the spectroscopic methods used to characterise them, including EPR, pulse ENDOR, muon spectroscopy and transient absorption. The combination of spin chemistry with relativistic and open-shell electronic structure theory will be emphasized. Applications may include quantum sensing, enantioselective chemistry, spin catalysis and molecular spintronics. The track will examine which spin phenomena are robust enough to be engineered deliberately.

Track 4: Hydrogen Storage, Production and Sustainable Fuels

This track explores the physical chemistry of hydrogen production, storage and conversion into sustainable fuels. Presentations may cover electrocatalysts for hydrogen and oxygen evolution, interfacial water structure and proton transfer mechanisms, and photoelectrochemical and photocatalytic water splitting. Researchers will discuss metal hydrides, complex hydrides and physisorptive storage in porous frameworks, together with liquid organic hydrogen carriers and ammonia as transport vectors. The integration of production, storage and conversion chemistry with system-level analysis will be emphasized. Applications may include electrolysers, fuel cells, CO? reduction to fuels and chemical feedstocks, and industrial decarbonisation. The track will examine the durability, cost and scalability barriers that currently limit deployment of hydrogen technologies.

Track 5: Porous Framework Materials, Host–Guest Chemistry and Molecular Recognition

This track explores the design, synthesis and function of porous framework materials and molecular recognition systems. Presentations may cover reticular chemistry, linker and topology engineering, metal–organic and covalent organic frameworks, and defect control. Researchers will discuss host–guest interactions, adsorption thermodynamics, confinement effects on reactivity and photophysics, and selective molecular recognition in complex media. The combination of experimental adsorption studies with molecular simulation and in-situ structural characterisation will be emphasized. Applications may include carbon capture, gas separation, atmospheric water harvesting, sensing, catalysis, drug delivery and energy storage. The track will examine the stability, shaping and scale-up conditions that determine whether promising materials reach practical use.

Track 6: Autonomous Laboratories, Robotics and High-Throughput Experimentation

This track explores the design and operation of autonomous and high-throughput experimental platforms in chemistry. Presentations may cover closed-loop optimisation, Bayesian optimisation, active learning for experimental campaign design, and robotics for liquid and solid handling. Researchers will discuss automated and in-line characterisation, real-time spectroscopic feedback, and the integration of laboratory hardware with data infrastructure. The combination of machine learning predictions with robotic execution and automated analysis will be emphasized. Applications may include catalyst screening, materials discovery, formulation development, electrolyser optimisation and process chemistry. The track will examine how autonomous systems change experimental practice, and what is required for their results to be trusted and reused by others.

Track 7: Mechanochemistry and Solvent-Free Sustainable Synthesis

This track explores solvent-free and low-solvent synthesis driven by mechanical energy. Presentations may cover ball milling, twin-screw extrusion, resonant acoustic mixing and related continuous manufacturing approaches. Researchers will discuss milling parameters, energy input, jar and media effects, and the reproducibility of mechanochemical reactions across laboratories. The mechanisms governing reactivity under milling, including localised heating, surface activation and defect-driven pathways, will be emphasized. Applications may include pharmaceutical synthesis, cocrystal and polymorph control, metal–organic and covalent organic frameworks, alloys and ceramics. The track will examine how mechanochemistry can reduce solvent waste and process mass intensity in real manufacturing settings.

Track 8: Molecular Energetics and Chemical Equilibrium

This track explores how energy distribution influences molecular stability and chemical change. Presentations will examine enthalpy, entropy, free energy, activity, and phase behaviour. Researchers may discuss equilibrium in solutions, mixtures, interfaces, and reactive systems. Experimental methods for measuring thermodynamic properties will also be considered. Computational approaches for predicting equilibrium constants and molecular energetics will be featured. Applications will include materials design, biological chemistry, energy systems, and industrial process development.

Track 9: Electronic Structure and Chemical Bonding

This track examines how electrons determine molecular geometry, bonding patterns, polarity, and chemical reactivity. Discussions will address orbital interactions, electron density, charge distribution, and bond formation. Researchers may present methods for studying metal complexes, clusters, radicals, and functional molecules. The role of electronic structure in optical, magnetic, and conductive properties will be highlighted. Advanced computational tools for analysing chemical bonds will also be considered. Applications will extend to catalysis, molecular electronics, pharmaceuticals, and materials science.

Track 10: Modern Quantum Chemistry

This track presents current quantum-mechanical methods for describing atoms, molecules, and chemical materials. Topics will include wavefunction calculations, density-based methods, quantum embedding, and excited-state modelling. Researchers may compare accuracy, computational cost, and scalability across different approaches. The programme will also consider quantum algorithms and emerging quantum-computing applications. Connections between theoretical calculations and experimental measurements will be emphasized. The track will demonstrate how quantum chemistry supports molecular discovery and chemical innovation.

Track 11: Molecular Dynamics and Simulation

This track focuses on computational methods for examining molecular motion, structure, and transformation over time. Presentations may cover atomistic simulations, Monte Carlo methods, coarse-grained models, and enhanced sampling. Researchers will discuss solvent effects, conformational changes, diffusion, and molecular self-organization. The reliability of force fields and simulation parameters will also be examined. Applications may involve liquids, membranes, polymers, biomolecules, and nanostructures. The track will show how simulation can complement experimental research and guide chemical design.

Track 12: Chemical Kinetics and Reaction Rate Processes

This track investigates the variables that control the speed and progression of chemical reactions. Topics will include rate constants, temperature dependence, pressure effects, solvent influence, and reaction order. Researchers may discuss catalytic acceleration, diffusion limitations, consecutive reactions, and competing pathways. New experimental techniques for monitoring rapid chemical changes will be presented. Mathematical models will be used to interpret reaction data and predict system behaviour. Applications will include industrial synthesis, atmospheric reactions, biological processes, and energy conversion.

Track 13: Spectroscopy and Molecular Characterization

This track explores spectroscopic and analytical methods for identifying molecular structure and chemical behaviour. Sessions may feature infrared, Raman, ultraviolet-visible, fluorescence, magnetic resonance, and photoelectron techniques. Researchers will discuss the interpretation of complex spectra and the detection of short-lived intermediates. Time-resolved and multidimensional measurements will receive particular attention. The integration of spectroscopy with computational chemistry will be emphasized. Applications will include molecular identification, materials analysis, biological research, and environmental monitoring.

Track 14: Physical Chemistry of Interfaces

This track examines chemical and physical processes occurring at boundaries between different phases. Topics may include adsorption, surface charge, wetting, interfacial tension, thin films, and molecular organization. Researchers will investigate how interfaces influence reaction rates, transport, and material performance. Advanced imaging and surface-analysis techniques will be discussed. Applications may involve coatings, membranes, sensors, catalysts, and biomedical devices. The track will highlight the importance of interfaces in both natural and engineered systems.

Track 15: Electrochemical Science and Energy Conversion

This track focuses on the movement of electrons and ions in electrochemical environments. Presentations may address electrode kinetics, electrolyte composition, charge transfer, ion transport, and corrosion. Researchers will examine batteries, fuel cells, electrolysers, supercapacitors, and emerging storage technologies. The behaviour of electrode–electrolyte interfaces will also be considered. Computational and experimental methods for evaluating efficiency and durability will be featured. The track will support the development of cleaner and more reliable energy systems.

Track 16: Photochemistry and Light-Driven Processes

This track examines chemical reactions and physical transformations initiated by light absorption. Topics may include excited-state behaviour, energy transfer, fluorescence, phosphorescence, and photoinduced charge movement. Researchers will discuss photochemical reaction pathways and the design of light-responsive molecules. The role of molecular structure in controlling wavelength, efficiency, and selectivity will be explored. Applications may include photocatalysis, solar-energy conversion, imaging, and phototherapy. The track will connect fundamental photochemistry with advanced technological applications.

Track 17: Physical Chemistry of Catalysis

This track explores the physical principles that determine catalyst activity, selectivity, and stability. Presentations may cover active sites, adsorption energies, reaction intermediates, and catalyst-support interactions. Researchers will discuss homogeneous, heterogeneous, enzymatic, and photocatalytic systems. Operando methods for monitoring catalysts during reactions will also be considered. Computational screening and predictive modelling may assist in identifying improved catalytic materials. Applications will include sustainable synthesis, pollution control, energy conversion, and industrial chemistry.

Track 18: Materials and Nanostructured Systems

This track investigates the physical chemistry of materials from the molecular scale to the bulk phase. Topics may include crystal formation, defects, phase behaviour, interfaces, self-assembly, and nanoscale organization. Researchers will examine how structure controls optical, electrical, thermal, and mechanical properties. Methods for designing nanostructured and multifunctional materials will be presented. Applications may involve electronics, sensors, medicine, energy storage, and advanced manufacturing. The track will encourage cooperation between chemistry, physics, engineering, and materials science.

Track 19: Soft Matter and Complex Fluids

This track focuses on polymers, colloids, gels, emulsions, membranes, liquid crystals, and other flexible chemical systems. Discussions may address viscosity, elasticity, phase separation, molecular crowding, and self-assembly. Researchers will examine how weak interactions create large-scale organization and unusual material behaviour. Experimental and theoretical methods for studying slow relaxation and collective movement will be included. Applications may extend to drug delivery, biotechnology, coatings, food technology, and tissue engineering. The track will connect soft-matter theory with practical material development.

Track 20: Physical Chemistry of Biological Systems

This track examines the physical principles governing molecules and processes in living systems. Topics may include protein folding, enzyme activity, membrane transport, molecular recognition, and biomolecular assembly. Researchers will discuss the influence of solvent, temperature, molecular flexibility, and ionic conditions. Spectroscopic, computational, and experimental approaches will be presented together. Applications may include biotechnology, diagnostics, drug development, and biomaterials. The track will demonstrate how physical chemistry can explain complex biological function.

Track 21: Computational Approaches to Drug and Molecular Design

This track highlights computational methods for studying molecular binding, structure, flexibility, and chemical activity. Presentations may cover docking, molecular dynamics, free-energy calculations, pharmacophore modelling, and virtual screening. Researchers will examine how theoretical descriptors can support the prediction of potency, selectivity, and molecular behaviour. Machine learning methods for compound prioritization may also be discussed. Experimental validation and biological testing will remain important parts of the research process. Applications will include pharmaceuticals, diagnostics, therapeutic molecules, and personalized medicine.

Track 22: Statistical Mechanics of Complex Systems

This track explores how microscopic interactions produce measurable collective properties. Topics may include molecular ensembles, fluctuations, phase transitions, critical behaviour, cooperative interactions, and finite-size effects. Researchers will discuss statistical approaches for analysing liquids, polymers, biomolecules, and nanoscale materials. The role of probability, disorder, and molecular organization will be emphasized. Computational techniques for connecting molecular models with macroscopic observations will be presented. The track will support a deeper understanding of complex chemical systems.

Track 23: Sustainable Physical Chemistry

This track considers how physical chemistry can contribute to safer and more resource-efficient technologies. Topics may include low-energy reactions, alternative solvents, renewable feedstocks, recyclable materials, and carbon utilization. Researchers will examine energy consumption, waste generation, emissions, and material efficiency. The role of molecular modelling in designing sustainable processes will be discussed. Applications may involve green catalysis, clean fuels, circular materials, and resource recovery. The track will connect fundamental chemical principles with environmental responsibility.

Track 24: Artificial Intelligence and Data-Driven Chemistry

This track explores the use of machine learning, artificial intelligence, automation, and chemical databases in modern research. Presentations may cover property prediction, reaction forecasting, molecular generation, active learning, and laboratory robotics. Researchers will discuss data quality, model interpretation, uncertainty estimation, and reproducibility. The combination of AI predictions with quantum calculations and experimental testing will be emphasized. Applications may include catalyst discovery, materials development, drug design, and process optimization. The track will examine how digital tools can accelerate chemical research responsibly.

Track 25: Emerging Directions in Physical and Theoretical Chemistry

This track provides a forum for innovative research that crosses traditional boundaries within chemical science. Topics may include quantum technologies, molecular electronics, autonomous laboratories, chemical informatics, programmable materials, and new theoretical frameworks. Researchers from physics, mathematics, biology, engineering, and computer science will be encouraged to contribute. The session will focus on ideas with potential to influence future research and industrial development. Interdisciplinary approaches to energy, health, materials, and environmental challenges will be welcomed. This track will conclude the programme with a forward-looking view of chemical science.

Market Analysis

Global Physical and Theoretical Chemistry Market Outlook – 2027

The physical and theoretical chemistry sector is being strengthened by the growing demand for advanced materials, clean energy technologies, computational drug development, high-performance catalysts, scientific software, and precision analytical systems. Research organizations and industries are increasingly using molecular modelling, simulation, spectroscopy, artificial intelligence, and automated experimentation to shorten development cycles and improve the performance of chemical products.

Computational chemistry and digital research platforms are expected to remain important areas of expansion. Universities, pharmaceutical companies, energy developers, materials manufacturers, and technology firms are investing in predictive tools that can evaluate molecular properties, reaction behaviour, material stability, and process efficiency before extensive laboratory testing begins.

Energy-related applications, including batteries, hydrogen systems, solar conversion, carbon utilization, and electrochemical manufacturing, continue to create demand for physical chemistry expertise. Materials research is also advancing through the development of nanostructures, polymers, catalysts, semiconductors, membranes, and functional surfaces.

Europe remains an important centre for chemical research because of its strong academic institutions, industrial base, sustainability programmes, and investment in scientific infrastructure. North America continues to support innovation through pharmaceutical research, computing, advanced materials, and technology development. Asia-Pacific is expanding rapidly through investment in manufacturing, energy storage, electronics, biotechnology, and scientific education.

The future of the sector will be shaped by the combination of fundamental chemistry, high-performance computing, artificial intelligence, advanced instrumentation, and sustainable process design. These developments are creating new opportunities for researchers, chemical companies, technology providers, investors, and institutions involved in the global chemical sciences.

Abstract Details

All abstracts submitted for the 14th World Congress on Physical and Theoretical Chemistry will be evaluated by the scientific committee. Accepted contributions may be included in the scientific programme as oral or poster presentations. Selected abstracts will be considered for publication in the conference proceedings, subject to the applicable editorial and publication requirements.

Authors whose submissions are accepted will receive an official Abstract Acceptance Letter confirming the presentation status and programme participation.

Secure Your Place & Submit Your Abstract

Registration: Conference Registration Portal: https://physical-theoreticalchemistry.annualcongress.com/registration.php

Abstract Submission: Abstract Submission Portal: https://physical-theoreticalchemistry.annualcongress.com/abstract-submission.php

Do not miss the opportunity to participate in the 14th World Congress on Physical and Theoretical Chemistry, present your research, exchange ideas with international specialists, and explore emerging developments in molecular science. Join us in Paris, France, on January 27–28, 2027, for a focused scientific meeting dedicated to advancing physical chemistry, theoretical chemistry, computational research, materials science, energy chemistry, and interdisciplinary innovation.

We look forward to welcoming researchers, educators, students, industry professionals, and scientific leaders to this international congress.

For Inquiries

Email: contact@europeanmeets.com

Phone: +44 2045861247

Website: Conference Website: https://physical-theoreticalchemistry.annualcongress.com/