Quantitative assessment of the structure of (Na2O)0.1-(V2O5)0.6-(TeO2)0.3 glass: An ab initio and machine learning interatomic potential study of oxide systems with mixed-valence
Shuaib, Firas; Piotrowski, Remi; Delaizir, Gaelle; Geffroy, Pierre-Marie; Wendji, Steve Dave Wansi; Massobrio, Carlo; Boero, Mauro; Ori, Guido; Thomas, Philippe; Masson, Olivier; Bouzid, Assil
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Save A computational pipeline combining machine learning and molecular simulations identifies repurposed PI3Kα inhibitors from FDA-approved drugs
Biniyam, Prince Danan; Kayeri, Naomi; Ayihi, Seth Junior; Haider, Syed Arslan; Dzitorwoko, Hope; Adu-Adjei, Kwabena; Osei, Michael; Ohene-Adu, Victoria; Frimpong, Portia; Penajah, Clifford Tignangnen; Amissah, Silas Boakye; Mazhar, Nimra; Amengor, Cedric Dzidzor Kodjo
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Save Finding low-energy experimental metal-organic frameworks for carbon capture via Bayesian optimization in the manifold subspace of geometric descriptors
Moreno, Clarence Shane; Penaso, Jemuel James; Valencia, Earl; Cortez, Callista Joyce; Ebriega, Bren Daniel; Pasaje, Jessa; Serognas, Renner Danielle; Panaligan, Allison Dale; De Leon, Rizalinda; Pilario, Karl Ezra
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