Programmable Chemical Intelligence Theory (PCI Theory): A Conceptual Foundational Framework for Adaptive Chemical Systems

Programmable Chemical Intelligence Theory (PCI Theory) is a proposed conceptual theoretical framework that extends the traditional foundations of chemical engineering by introducing programmable information processing as an additional conceptual engineering dimension for adaptive chemical systems. Rather than replacing established principles such as thermodynamics, reaction kinetics, transport phenomena, and process systems engineering, PCI Theory complements these foundations by incorporating environmental information into the conceptual description of adaptive chemical behaviour. The framework is organised around four interconnected principles: chemical state awareness, programmable chemical decision-making, adaptive information processing, and evolutionary chemical optimisation. This work presents a preliminary conceptual mathematical representation of adaptive chemical systems based on the interacting dimensions of matter, energy, information, and time, and discusses potential engineering applications in intelligent catalysis, precision drug delivery, autonomous chemical manufacturing, programmable functional materials, and sustainable energy systems. PCI Theory is intended as a hypothesis-generating conceptual framework to stimulate future research in chemical engineering, systems chemistry, computational chemistry, intelligent materials, synthetic biology, and artificial intelligence. Future work will require rigorous mathematical formalisation, computational modelling, molecular simulation, and experimental validation to evaluate the predictive capability and engineering applicability of the proposed framework.

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Publication Details

Journal
Zenodo (CERN European Organization for Nuclear Research)
Published
2026-07-30
DOI
https://doi.org/10.5281/zenodo.21701525
Primary Topic
Machine Learning in Materials Science
Type
preprint
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preprint

Programmable Chemical Intelligence Theory (PCI Theory): A Conceptual Foundational Framework for Adaptive Chemical Systems

Marziyeh Qasemi
Zenodo (CERN European Organization for Nuclear Research)
Machine Learning in Materials Science
preprint

Programmable Chemical Intelligence Theory (PCI Theory): A Conceptual Foundational Framework for Adaptive Chemical Systems

Marziyeh Qasemi
preprint en

Abstract

Programmable Chemical Intelligence Theory (PCI Theory) is a proposed conceptual theoretical framework that extends the traditional foundations of chemical engineering by introducing programmable information processing as an additional conceptual engineering dimension for adaptive chemical systems. Rather than replacing established principles such as thermodynamics, reaction kinetics, transport phenomena, and process systems engineering, PCI Theory complements these foundations by incorporating environmental information into the conceptual description of adaptive chemical behaviour. The framework is organised around four interconnected principles: chemical state awareness, programmable chemical decision-making, adaptive information processing, and evolutionary chemical optimisation. This work presents a preliminary conceptual mathematical representation of adaptive chemical systems based on the interacting dimensions of matter, energy, information, and time, and discusses potential engineering applications in intelligent catalysis, precision drug delivery, autonomous chemical manufacturing, programmable functional materials, and sustainable energy systems. PCI Theory is intended as a hypothesis-generating conceptual framework to stimulate future research in chemical engineering, systems chemistry, computational chemistry, intelligent materials, synthetic biology, and artificial intelligence. Future work will require rigorous mathematical formalisation, computational modelling, molecular simulation, and experimental validation to evaluate the predictive capability and engineering applicability of the proposed framework.

Zenodo (CERN European Organization for Nuclear Research)
Machine Learning in Materials Science
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