Chemistry | Materials Science | Physics Simulating the isotropic Raman spectra of O-H stretching mode in liquid HO based on a machine learning potential: the influence of vibrational couplings. October 11, 2023
Chemistry | Physics Multistate Reaction Coordinate Model for Charge and Energy Transfer Dynamics in the Condensed Phase. October 10, 2023
Chemistry | Geology | Material Science Speciation of La-Cl Complexes in Hydrothermal Fluids from Deep Potential Molecular Dynamics. October 9, 2023
Chemistry | Food Science Predicting Antioxidant Synergism via Artificial Intelligence and Benchtop Data. October 5, 2023
Chemistry | Materials Science | Physics The shape of things to come: Axisymmetric drop shape analysis using deep learning. October 4, 2023
Catalysis | Chemistry | Materials Science Quantitative 3D Characterization of Functionally Relevant Parameters in Heavy-Oxide-Supported 4d Metal Nanocatalysts. October 2, 2023
Bioinformatics | Chemistry | Metabolomics In Search of Disentanglement in Tandem Mass Spectrometry Datasets. September 28, 2023
Biochemistry | Cell Biology | Chemistry Distinct chemical environments in biomolecular condensates. September 28, 2023
Chemistry | Environmental Science | Material Science Leveraging deep learning for automatic recognition of microplastics (MPs) via focal plane array (FPA) micro-FT-IR imaging. September 27, 2023
Chemistry | Energy Storage | Materials Science Data Driven Discovery of MOFs for Hydrogen Gas Adsorption. September 27, 2023
Bioinformatics | Chemistry | Pharmaceutical Sciences Probabilistic generative transformer language models for generative design of molecules. September 25, 2023
Chemistry | Environmental Science A Graph Neural Network Model with a Transparent Decision-Making Process Defines the Applicability Domain for Environmental Estrogen Screening. September 25, 2023