Development of a “First Principles” Water Potential with Flexible Monomers: Dimer Potential Energy Surface, VRT Spectrum, and Second Virial Coefficient

Realistic phase diagram of water from “first principles” data

Intrinsically disordered protein's coil-to-globule transition and

Development of a “First-Principles” Water Potential with Flexible

On the Role of Nonspherical Cavities in Short Length-Scale Density

Development of a “First Principles” Water Potential with Flexible

Accurate determination of solvation free energies of neutral

Elevating density functional theory to chemical accuracy for water

Homogeneous ice nucleation in an ab initio machine-learning model

Torsional Tunneling Splitting in a Water Trimer

The local structure of water from combining diffraction and X-ray