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Faraday Discussions|July 29, 2024
Cumulant Green's function methods for moleculesPierre-François Loos, Antoine Marie, Abdallah AmmarFaraday Discussions|July 29, 2024
On the notion of strong correlation in electronic structure theoryBrad Ganoe, James SheeFaraday Discussions|October 23, 2024
Single-molecule electrochemical imaging of 'split waves' in the electrocatalytic (EC') mechanismWandong Zhao, Jin LuFaraday Discussions|September 19, 2024
Crystal structure validation of verinurad via proton-detected ultra-fast MAS NMR and machine learningDaria Torodii, Jacob B Holmes, Pinelopi Moutzouri, et al.Faraday Discussions|September 27, 2024
Data-efficient fine-tuning of foundational models for first-principles quality sublimation enthalpiesHarveen Kaur, Flaviano Della Pia, Ilyes Batatia, et al.Faraday Discussions|September 27, 2024
The essential synergy of MD simulation and NMR in understanding amorphous drug formsJamie L Guest, Esther A E Bourne, Martin A Screen, et al.Faraday Discussions|September 18, 2024
Tracking Li atoms in real-time with ultra-fast NMR simulationsAngela F Harper, Tabea Huss, Simone S Köcher, et al.Faraday Discussions|August 9, 2024
Accurate and interpretable representation of correlated electronic structure via Tensor Product Selected CINicole M Braunscheidel, Arnab Bachhar, Nicholas J MayhallFaraday Discussions|August 12, 2024
On synergy between ultrahigh throughput screening and machine learning in biocatalyst engineeringMaximilian Gantz, Simon V Mathis, Friederike E H Nintzel, et al.Faraday Discussions|August 5, 2024
Tailored carbon dioxide capacity in carboxylate-based ionic liquidsNicolas Scaglione, Jocasta Avila, Agilio Padua, et al.Pageof 379