{"links":{"self":"http://dataportal.arc.gov.au/NCGP/API/grants/FT250100734"},"data":{"type":"grant-details","id":"FT250100734","attributes":{"code":"FT250100734","administering-organisation":"Curtin University","announcement-administering-organisation":"Curtin University","scheme-name":"ARC Future Fellowships","grant-status":"Active","funding-commencement-year":2025,"years-funded":4,"project-start-date":"2026-01-05","anticipated-end-date":"2030-01-04","grant-summary":"From Titan's haze to Earth's labs: predicting organic crystal growth. This project aims to model organic mineral formation on Titan, Saturn's largest moon, whose atmosphere functions like a natural laboratory for prebiotic chemistry. By developing new computational methods, we will uncover which minerals are likely, their formation, and properties. Expected outcomes of this research are new computational techniques for the prediction of crystals and their properties, an enhanced understanding of geological processes on Titan and the formation of new interdisciplinary collaborations. This should provide significant benefits across wide-ranging applications, from supporting future missions like NASA's Dragonfly to from pharmaceutical design here on Earth, enabling new approaches for materials design and beyond.","funding-current":809280.00,"funding-at-announcement":792390,"investigators-current":[{"title":"Dr","firstName":"Peter","familyName":"Spackman","roleName":"Future Fellowship","roleCode":"FT","isFellowship":true,"orcidIdentifier":"0000-0002-6532-8571 "}],"investigators-at-announcement":[{"title":"Dr","firstName":"Peter","familyName":"Spackman","roleName":"Future Fellowship","roleCode":"FT","isFellowship":true,"orcidIdentifier":"0000-0002-6532-8571 "}],"organisations-current":[{"organisationName":"Curtin University","roleName":"Administering Organisation","state":"WA"}],"organisations-at-announcement":[{"organisationName":"Curtin University","roleName":"Administering Organisation","state":"WA"}],"field-of-research":[{"isPrimary":false,"code":"340202","name":"Crystallography","type":"FOR20"},{"isPrimary":true,"code":"3407","name":"Theoretical and Computational Chemistry","type":"FOR20"},{"isPrimary":false,"code":"340701","name":"Computational Chemistry","type":"FOR20"},{"isPrimary":false,"code":"340704","name":"Theoretical Quantum Chemistry","type":"FOR20"}],"socio-economic-objective":[{"code":"240899","name":"Human Pharmaceutical Products Not Elsewhere Classified","type":"SEO20"},{"code":"280105","name":"Expanding Knowledge In the Chemical Sciences","type":"SEO20"},{"code":"280120","name":"Expanding Knowledge In the Physical Sciences","type":"SEO20"}],"international-collaboration":["England","United Arab Emirates","United States of America"],"lief-register":[],"achievement-summary":null,"national-interest-test-statement":"Predicting organic molecular crystal formation is crucial for designing novel materials, finding new drugs, and understanding chemical processes here on Earth and beyond. Advanced computational quantum chemistry methods offer the capacity to explore realms challenging or impossible to access through experiments alone.  However, current methods struggle to accurately model realistic conditions and dynamic processes.\nThis project will develop new methods to predict organic crystal formation under diverse conditions, from pharmaceutical labs to alien worlds like Saturn's moon Titan. These methods will increase the predictive power of simulations for real-world materials, including new pharmaceutical co-crystals and potential extraterrestrial minerals. The potential of such predictions is exemplified by recent products like Entresto, a drug-drug co-crystal with annual sales of $4.5 billion.\nSuch a breakthrough would have enormous economic and scientific benefits for Australia's pharmaceutical, materials, and space industries. Our open software will make these methods immediately accessible to Australian researchers and industries, positioning Australia at the forefront of computational chemistry and planetary science.\nThis project aligns with Australia's National Research Priorities in Advanced Manufacturing, Health, and Space. It will train the next generation of computational chemists, supporting high-value jobs in Australia's growing scientific and space exploration ecosystem."}}}