What it takes to solve the origins of life: An integrated review. Part 2: Theoretical methods and emerging trends

<h2>Summary</h2> The origin(s) of life (OoL), which has puzzled scientists for centuries, remains a major scientific challenge in the 21st century. Understanding the processes relevant to the OoL demands theoretical frameworks that can connect processes across scales, from microscopic dynamics to emergent levels of organization. While experimental studies generate a wealth of data, theoretical and computational approaches provide the structure necessary to interpret and generalize these findings. In Part 1, we examined the most widely used experimental techniques in the field. Here, we focus on the mathematical, physical, and computational techniques used to model phenomena relevant to life's origin(s). We discuss methods ranging from quantum chemistry and molecular dynamics to chemical reaction networks, autocatalysis, and evolutionary modeling, as well as information-theoretic and phylogenetic approaches that link chemical and biological organization. We further highlight emerging trends such as synthetic biology, omics-based methods, and laboratory automation as novel points of contact for theory-experiment integration. Ultimately, we aim to provide an educational tool that can facilitate more post-disciplinary collaborations in OoL research by helping scientists understand what they can do about the problem of life's origins, rather than telling them how to think about it.

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Publication Details

Journal
Cell Reports Physical Science
Published
2026-04-01
DOI
https://doi.org/10.1016/j.xcrp.2026.103211
Primary Topic
Origins and Evolution of Life
Type
article
Field-Weighted Citation Impact
0.00

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article

What it takes to solve the origins of life: An integrated review. Part 2: Theoretical methods and emerging trends

Yuliia Orlova, Martina Preiner, Cole Mathis, Zhen Peng et al.
Cell Reports Physical Science
Origins and Evolution of Life
article

What it takes to solve the origins of life: An integrated review. Part 2: Theoretical methods and emerging trends

Yuliia Orlova, Martina Preiner, Cole Mathis, Zhen Peng, Siddhant Sharma, Valentina Erastova, Loraine Schwander, Tony Z. Jia, Ryo Mizuuchi, Eloi Camprubí, Artemy Kolchinsky, Ghjuvan Micaelu Grimaud, David Boulesteix, Avinash Vicholous Dass, Carla Bautista, Enrico Sandro Colizzi, Klaus Paschek, Stuart A. Harrison, Omer Markovitch, Silvana Pinna, Silke Asche, Hannah Dromiack, Joana C. Xavier, Alexandre Champagne-Ruel, Amit Kahana, Andrey Vieira, Alyssa Adams, Stephanie Colón-Santos, Harrison B. Smith, Eduardo Rodríguez-Román, Odin Moron-Garcia, Amanda Garcia, Jingbo Nan, Seán F. Jordan, Aaron Halpern, Celia Blanco, Ben K.D. Pearce
article en

Abstract

<h2>Summary</h2> The origin(s) of life (OoL), which has puzzled scientists for centuries, remains a major scientific challenge in the 21st century. Understanding the processes relevant to the OoL demands theoretical frameworks that can connect processes across scales, from microscopic dynamics to emergent levels of organization. While experimental studies generate a wealth of data, theoretical and computational approaches provide the structure necessary to interpret and generalize these findings. In Part 1, we examined the most widely used experimental techniques in the field. Here, we focus on the mathematical, physical, and computational techniques used to model phenomena relevant to life's origin(s). We discuss methods ranging from quantum chemistry and molecular dynamics to chemical reaction networks, autocatalysis, and evolutionary modeling, as well as information-theoretic and phylogenetic approaches that link chemical and biological organization. We further highlight emerging trends such as synthetic biology, omics-based methods, and laboratory automation as novel points of contact for theory-experiment integration. Ultimately, we aim to provide an educational tool that can facilitate more post-disciplinary collaborations in OoL research by helping scientists understand what they can do about the problem of life's origins, rather than telling them how to think about it.

Cell Reports Physical ScienceVol. 7(4)
Centre National de la Recherche Scientifique (FR), Goddard Space Flight Center (US), University of Wisconsin–Madison (US), University of Lisbon (PT), Teagasc - The Irish Agriculture and Food Development Authority (IE), Johns Hopkins University (US), Emory University (US), Waseda University (JP), Institute of Science and Technology Austria (AT), Universitat Pompeu Fabra (ES), Instituto Venezolano de Investigaciones Científicas (VE), Chinese Academy of Sciences (CN), Linnaeus University (SE), University of Cambridge (GB), University College Cork (IE), Sainsbury Laboratory (GB), The University of Texas Rio Grande Valley (US), Wisconsin Institutes for Discovery (US), Institut de Science et d'Ingénierie Supramoléculaires (FR), Nanjing Institute of Geology and Paleontology (CN), Estacion Experimental de Zonas Aridas (ES), CentraleSupélec (FR), Max Planck Institute for Astronomy (DE), Life Science Institute (JP), APC Microbiome Institute (IE), Blue Marble Space (US), Blue Marble Space Institute of Science (US), Max Planck Institute for Terrestrial Microbiology (DE), Dublin City University (IE), Université Laval (CA), Heinrich Heine University Düsseldorf (DE), University College London (GB), Imperial College London (GB), Amsterdam University of Applied Sciences (NL), Arizona State University (US), Université de Montréal (CA), University of Glasgow (GB), McMaster University (CA), University of Edinburgh (GB)
National Aeronautics and Space Administration, John Templeton Foundation, University of Texas System, “la Caixa” Foundation, Fondation J. Armand Bombardier, Deutsche Forschungsgemeinschaft, Universität Heidelberg, Centre National d’Etudes Spatiales, Tokyo Institute of Technology, Fundación Bancaria Caixa d'Estalvis i Pensions de Barcelona, Horizon 2020 Framework Programme, HORIZON EUROPE Framework Programme, Natural Sciences and Engineering Research Council of Canada, Japan Society for the Promotion of Science, Fundação para a Ciência e a Tecnologia, Fonds de recherche du Québec – Nature et technologies, H2020 Marie Skłodowska-Curie Actions
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