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Simulating Solvation and Acidity in Complex Mixtures with First-Principles Accuracy: The Case of CH3SO3H and H2O2 in Phenol

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Simulating Solvation and Acidity in Complex Mixtures with First-Principles Accuracy: The Case of CH3SO3H and H2O2 in Phenol

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Slow dynamics in structured neural network models

Comparison of permutationally invariant polynomials, neural networks, and Gaussian approximation potentials in representing water interactions through many-body expansions

Neural assemblies as core elements for modeling neural networks in the brain

Neural network potential for Al-Mg-Si alloys

All-diamond functional surface micro-electrode arrays for brain-slice neural analysis

Theory of representation learning in cortical neural networks

Accurate molecular dynamics and nuclear quantum effects at low cost by multiple steps in real and imaginary time: Using density functional theory to accelerate wavefunction methods

Towards a Composite Benchmark Method for the Aqueous Solvation Free Energies of Organic Compounds

Two dimensional quantum mechanical simulation of low dimensional tunneling devices

i-PI: A Python interface for ab initio path integral molecular dynamics simulations