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Accurate and transferable neural network potentials for reactive simulations of siliceous zeolites

Chemistry

Accurate and transferable neural network potentials for reactive simulations of siliceous zeolites

A. Erlebach

This groundbreaking research by A. Erlebach and colleagues introduces reactive SchNet neural network potentials for enhanced modeling of silica's potential energy surfaces. With improved accuracy in predicting structural and vibrational properties, this study paves the way for innovative simulations in glass melting and zeolite amorphization.

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