WelcomeJoin us in York in April 2026 for this edition of the Faraday Discussion series. The Faraday Discussions are unique international discussion meetings that address current and emerging topics at the forefront of the physical sciences.
A unique conference format that prioritises discussion
At a Faraday Discussion, the primary research papers written by the speakers are distributed to all participants before the meeting – ensuring that most of the meeting is devoted to discussing the latest research.
This provides a genuinely collaborative environment, where discussion and debate are at the foreground. All delegates, not just speakers, are invited to make comments, ask questions, or present complementary or contradictory measurements and calculations.
An exciting programme of talks – and more
Take part in a well-balanced mix of talks, discussion, poster sessions and informal networking, delivered by our expert events team. You can explore the full programme in the downloadable files on the right – whether you’re attending in-person or online, every minute provides an opportunity.
The conference dinner, included in the registration fee, contains the Marlow Cup ceremony: a unique commemoration of past Faraday Discussion organisers that is sure to encourage further discussions over dinner.
In-depth discussion with leaders in the field
World-leading and established researchers connect with each other and early-career scientists and postgraduate students to discuss the latest research and drive science forwards. It’s a unique atmosphere – and challenging others to get to the heart of the problem is encouraged!
Your contributions, published and citable
A citable record of the discussion is published in the Faraday Discussions journal, alongside the research papers. Questions, comments and remarks become a valuable part of the published scientific conversation, and every delegate can make a major contribution.
New experimental methods for observing catalysts in action
Catalytic surfaces are known for their dynamic nature, constantly changing during chemical conversions. To maintain stable productivity, the active mass must remain morphologically stable while the surface regenerates active sites. Monitoring these structural and chemical changes non-invasively during reactions poses a significant challenge in catalysis research.
The operando methodology discussed in this section integrates the characterization of a catalyst's structure and composition while it is operational, with the analysis of its performance. By adopting advanced experimental techniques and a holistic view of catalytic processes, researchers can unravel the intricate dynamics of catalytic surfaces and their role in chemical transformations more effectively.
Impact of Artificial Intelligence on Heterogeneous Catalysis
The complexity and intricacy of heterogenous catalysis often poses challenges for conventional theory. Artificial intelligence (AI) has given us new tools to find relationships or correlations that cannot be expressed in terms of a closed mathematical form or an easy-to-do numerical simulation. To apply AI and especially large language models effectively in catalysis research, fundamental changes are needed in the way experimental and computational data are reported. Collection and storage of large, machine-readable datasets are desired under a broad range of conditions, including information about “failed” experiments and metadata. The goal is to integrate AI in catalysis research in a way that leads to breakthroughs currently hindered by the intricacy of the catalytic processes. The discussion will include generative large language models, machine-learning force fields, the concept of “materials genes” in heterogenous catalysis, uncertainty quantification, and more.
Chemical mechanisms and system analysis in heterogeneous catalysis
Heterogeneous catalysis converts reactants to products by elementary reaction steps involving intermediates that transform between one another crossing over activation barriers that are associated with specific transition states. Unlike homogeneous catalysis, the catalyst surface is not a place where reactions happen, it is dynamically and chemically involved in the reaction. In fact, the catalyst surface may change its chemical composition and physical structure due to the ongoing catalytic reactions that release heat and involve the catalyst’s atoms. Active catalysts often only exist because of reaction conditions; this is why the term living catalyst is sometimes used. Research in this theme addresses these issues both experimentally and through computation and simulation.
Rational Design of Dynamic and Self-repairing Active Sites
The predictive design of catalytic sites that are both highly active and stable poses a substantial challenge in catalysis. This complexity arises from the dynamic evolution of as-synthesized catalytic sites under reaction conditions, where their geometric and electronic structure changes at reaction temperatures due to their instability and adsorption of reactants. This instability, along with the possibility of interconversion between energetically similar structural configurations, complicates understanding of their intrinsic activity. The simplest active sites, such as small metal clusters and single metal atoms, may also cycle among different binding configurations along the sequence of elementary reaction steps. Further complexity and tunability arise from distinct properties and heterogeneity of the anchoring sites of the support. Additionally, the long-term evolution of these sites due to irreversible changes, e.g., via sintering and poisoning, presents significant challenges. Therefore, developing new strategies for catalyst design that would allow predicting their dynamic changes and ability to self-repair is crucial for achieving control over their long-term activity, selectivity, and stability.
Why attend?
Find out more about Faraday Discussions in the video and FAQs – see Useful links on the right.A unique conference format that prioritises discussion
At a Faraday Discussion, the primary research papers written by the speakers are distributed to all participants before the meeting – ensuring that most of the meeting is devoted to discussing the latest research.
This provides a genuinely collaborative environment, where discussion and debate are at the foreground. All delegates, not just speakers, are invited to make comments, ask questions, or present complementary or contradictory measurements and calculations.
An exciting programme of talks – and more
Take part in a well-balanced mix of talks, discussion, poster sessions and informal networking, delivered by our expert events team. You can explore the full programme in the downloadable files on the right – whether you’re attending in-person or online, every minute provides an opportunity.
The conference dinner, included in the registration fee, contains the Marlow Cup ceremony: a unique commemoration of past Faraday Discussion organisers that is sure to encourage further discussions over dinner.
In-depth discussion with leaders in the field
World-leading and established researchers connect with each other and early-career scientists and postgraduate students to discuss the latest research and drive science forwards. It’s a unique atmosphere – and challenging others to get to the heart of the problem is encouraged!
Your contributions, published and citable
A citable record of the discussion is published in the Faraday Discussions journal, alongside the research papers. Questions, comments and remarks become a valuable part of the published scientific conversation, and every delegate can make a major contribution.
Themes
The performance of heterogeneous catalysts is governed by an intricate interplay between surface chemical reactions and dynamic restructuring of the catalyst occurring under reaction conditions. This intricacy of the working catalyst can now be visualized with advanced experimental methods, allowing observations of properties that emerge only within the reacting environment. Sadly, these phenomena can often only be empirically characterized and the goal of rational design of industrial catalysts, despite some progress, remains largely unfulfilled as modelling catalytic behavior remains enormously challenging. The field of surface chemistry – closely related to heterogeneous catalysis and with many overlapping interests – attempts to reduce catalysis to its elementary components. Simplified model catalysts are investigated with the most sophisticated tools of chemical physics in an effort to examine and understand atomic scale processes at the most fundamental level. Connection with first principles theory is a central goal and often achieved. This Faraday discussion is meant to promote exchange between these two communities, with the aim to advance our skill in designing new catalysts which are needed for a host of society’s most pressing problems ranging from energy production, air quality and transportation to environmentally sustainable industry.New experimental methods for observing catalysts in action
Catalytic surfaces are known for their dynamic nature, constantly changing during chemical conversions. To maintain stable productivity, the active mass must remain morphologically stable while the surface regenerates active sites. Monitoring these structural and chemical changes non-invasively during reactions poses a significant challenge in catalysis research.
The operando methodology discussed in this section integrates the characterization of a catalyst's structure and composition while it is operational, with the analysis of its performance. By adopting advanced experimental techniques and a holistic view of catalytic processes, researchers can unravel the intricate dynamics of catalytic surfaces and their role in chemical transformations more effectively.
Impact of Artificial Intelligence on Heterogeneous Catalysis
The complexity and intricacy of heterogenous catalysis often poses challenges for conventional theory. Artificial intelligence (AI) has given us new tools to find relationships or correlations that cannot be expressed in terms of a closed mathematical form or an easy-to-do numerical simulation. To apply AI and especially large language models effectively in catalysis research, fundamental changes are needed in the way experimental and computational data are reported. Collection and storage of large, machine-readable datasets are desired under a broad range of conditions, including information about “failed” experiments and metadata. The goal is to integrate AI in catalysis research in a way that leads to breakthroughs currently hindered by the intricacy of the catalytic processes. The discussion will include generative large language models, machine-learning force fields, the concept of “materials genes” in heterogenous catalysis, uncertainty quantification, and more.
Chemical mechanisms and system analysis in heterogeneous catalysis
Heterogeneous catalysis converts reactants to products by elementary reaction steps involving intermediates that transform between one another crossing over activation barriers that are associated with specific transition states. Unlike homogeneous catalysis, the catalyst surface is not a place where reactions happen, it is dynamically and chemically involved in the reaction. In fact, the catalyst surface may change its chemical composition and physical structure due to the ongoing catalytic reactions that release heat and involve the catalyst’s atoms. Active catalysts often only exist because of reaction conditions; this is why the term living catalyst is sometimes used. Research in this theme addresses these issues both experimentally and through computation and simulation.
Rational Design of Dynamic and Self-repairing Active Sites
The predictive design of catalytic sites that are both highly active and stable poses a substantial challenge in catalysis. This complexity arises from the dynamic evolution of as-synthesized catalytic sites under reaction conditions, where their geometric and electronic structure changes at reaction temperatures due to their instability and adsorption of reactants. This instability, along with the possibility of interconversion between energetically similar structural configurations, complicates understanding of their intrinsic activity. The simplest active sites, such as small metal clusters and single metal atoms, may also cycle among different binding configurations along the sequence of elementary reaction steps. Further complexity and tunability arise from distinct properties and heterogeneity of the anchoring sites of the support. Additionally, the long-term evolution of these sites due to irreversible changes, e.g., via sintering and poisoning, presents significant challenges. Therefore, developing new strategies for catalyst design that would allow predicting their dynamic changes and ability to self-repair is crucial for achieving control over their long-term activity, selectivity, and stability.
