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Water model

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Water model

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Structure and dynamics of liquid water from ab initio simulations: adding Minnesota density functionals to Jacob's ladder

Solvation Free Energies from Machine Learning Molecular Dynamics

Efficient and insightful descriptors for representing molecular and material space

Variational quantum time evolution without the quantum geometric tensor

Comparing transferability in neural network approaches and linear models for machine-learning interaction potentials

A recipe for cracking the quantum scaling limit with machine learned electron densities

The Three-Phase Contact Potential Difference Modulates the Water Surface Charge

The Three-Phase Contact Potential Difference Modulates the Water Surface Charge

Impact of dipole-dipole interactions on motility-induced phase separation

Effects of surface wettability on (001)-WO3 and (100)-WSe2: A spin-polarized DFT-MD study

Solvation Free Energies from Machine Learning Molecular Dynamics

Structure and dynamics of liquid water from ab initio simulations: adding Minnesota density functionals to Jacob's ladder

Efficient and insightful descriptors for representing molecular and material space

Variational quantum time evolution without the quantum geometric tensor

The Three-Phase Contact Potential Difference Modulates the Water Surface Charge

The Three-Phase Contact Potential Difference Modulates the Water Surface Charge

Comparing transferability in neural network approaches and linear models for machine-learning interaction potentials

Impact of dipole-dipole interactions on motility-induced phase separation

Effects of surface wettability on (001)-WO3 and (100)-WSe2: A spin-polarized DFT-MD study

A recipe for cracking the quantum scaling limit with machine learned electron densities