David Waroquiers

5PUBLICATIONS
95CO-AUTHORS
Formal methods for softwareComposite and hybrid materialsElectrical energy generation (incl. renewables, excl. photovoltaics)Architectural computing and visualisation methodsStatistical mechanics in chemistry
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Publications (5)

|Oct 29, 2025
Abinit 2025: New capabilities for the predictive modeling of solids and nanomaterials.

Matthieu J Verstraete, Joao Abreu, Guillaume E Allemand

|Jul 03, 2025
Accelerated data-driven materials science with the Materials Project.

Matthew K Horton, Patrick Huck, Ruo Xi Yang

|Oct 21, 2024
Hydrogen Evolution Reaction of Electrodeposited Ni-W Films in Acidic Medium and Performance Optimization Using Machine Learning.

Roger de Paz-Castany, Konrad Eiler, Aliona Nicolenco

|Aug 25, 2020
ChemEnv: a fast and robust coordination environment identification tool.

David Waroquiers, Janine George, Matthew Horton

|Feb 18, 2020
The Limited Predictive Power of the Pauling Rules.

Janine George, David Waroquiers, Davide Di Stefano

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Frequent Collaborators

5 joint publications

Gian-Marco Rignanese

3 joint publications

Janine George

3 joint publications

Guido Petretto

3 joint publications

Geoffroy Hautier