Study reveals controlled proton tunneling in water trimers
A research team led by Professor Hyung-Joon Shin from the Department of Materials Science and Engineering at UNIST has ...
Frontiers16d
Predictive modeling of molecular interaction energies using topological and spectral entropies of zeolite AWW
Furthermore, we incorporated the exponential regression models that establish relationships between the measured entropies and molecular interaction energies, offering deeper insights into the energy ...
Supercritical water's structure decoded: Analysis finds no molecular clusters, just fleeting bonds
Researchers at Ruhr University Bochum, Germany, have shed light on the structure of supercritical water. In this state, which exists at extreme temperatures and pressures, water has the properties of ...
C&EN23d
Reactivity of Carbonyl-Containing Solid Polymer Electrolytes in Lithium–Metal Batteries from First-Principles Molecular Dynamics
Department of Chemical Engineering, National Taiwan University of Science and Technology, Taipei 106, Taiwan Sustainable Electrochemical Energy Development Center (SEED Center), National Taiwan ...
Business Wire29d
H2O.ai Becomes First to Bring Model Risk Management to Generative AI for Regulated Industries
MOUNTAIN VIEW, Calif.--(BUSINESS WIRE)--H2O.ai, the leader in open-source Generative AI and the most accurate Predictive AI platforms, today announced the industry's first Model Risk Management ...
C&EN29d
High School Students Experimenting with Computational Chemistry: Design-Based Research on and through the “Comp-Chem-Lab”
Creative Commons (CC): This is a Creative Commons license. Attribution (BY): Credit must be given to the creator. Despite the profound impact of Computational Chemistry (CC) on chemical research and ...