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

Development of a “First Principles” Water Potential with Flexible

Elevating density functional theory to chemical accuracy for water

Automatic Generation of Flexible-Monomer Intermolecular Potential

Realistic phase diagram of water from “first principles” data

Table 2 from Toward Chemical Accuracy in the Description of Ion

Development of a “First Principles” Water Potential with Flexible

Thermodynamics of Water and Ice from a Fast and Scalable First

Elevating density functional theory to chemical accuracy for water

Table 2 from Toward Chemical Accuracy in the Description of Ion

PDF) Development of a “First Principles” Water Potential with

Path integral molecular dynamics at zero thermal temperature

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

Development of a “First Principles” Water Potential with Flexible

Code interoperability extends the scope of quantum simulations