G. Ferlat

Local Structure Refinement of Disordered Material Models:  Ion Pairing and Structure in YCl₃Aqueous Solutions

Effect of Ions on the Structure of Water: Structure Making and Breaking

Structure and Nanostructure in Ionic Liquids

Aqueous Basic Solutions: Hydroxide Solvation, Structural Diffusion, and Comparison to the Hydrated Proton

Computer Simulation of Liquids

Lanthanide-Activated Phosphors Based on 4f-5d Optical Transitions: Theoretical and Experimental Aspects

First-Principles Models for van der Waals Interactions in Molecules and Materials: Concepts, Theory, and Applications

Local versus Average Structure in LaSrAl₃O₇: A NMR and DFT Investigation

X-Ray absorption spectroscopy investigation of 1-alkyl-3-methylimidazolium bromide salts

Structural characterization of zinc(II) chloride in aqueous solution and in the protic ionic liquid ethyl ammonium nitrate by x-ray absorption spectroscopy

Anion-exchange membranes in electrochemical energy systems

WIEN2k: An APW+lo program for calculating the properties of solids

Analyzing the errors of DFT approximations for compressed water systems

A comprehensive electron wavefunction analysis toolbox for chemists, Multiwfn

Neutron and X-ray diffraction studies of aqueous rubidium bromide solutions

How van der Waals interactions determine the unique properties of water

ChatGPT Chemistry Assistant for Text Mining and the Prediction of MOF Synthesis

Similarity of Precursors in Solid-State Synthesis as Text-Mined from Scientific Literature

Effects of concentration on structure, dielectric, and dynamic properties of aqueous NaCl solutions using a polarizable model

Hidden polymorphs drive vitrification in B2O3

Boroxol Rings in Liquid and VitreousB2O3from First Principles

Hydration of the bromine ion in a supercritical 1:1 aqueous electrolyte

Two exchange-correlation functionals compared for first-principles liquid water

The quest for ion pairing in supercritical aqueous electrolytes

Combining extended x-ray absorption fine structure with numerical simulations for disordered systems

Van der Waals effects in ab initio water at ambient and supercritical conditions