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2. How to verify the precision of density-functional-theory implementations via reproducible and universal workflows

3. Crystal Toolkit: A Web App Framework to Improve Usability and Accessibility of Materials Science Research Algorithms

4. How to verify the precision of density-functional-theory implementations via reproducible and universal workflows

5. Common workflows for computing material properties using different quantum engines

6. OPTIMADE, an API for exchanging materials data

7. Ferroelectricity and multiferroicity in anti-Ruddlesden-Popper structures

8. OPTIMADE, an API for exchanging materials data.

9. Common workflows for computing material properties using different quantum engines

11. An unlikely route to low lattice thermal conductivity: small atoms in a simple layered structure

13. Convergence and pitfalls of density functional perturbation theory phonons calculations from a high-throughput perspective

14. High-throughput density-functional perturbation theory phonons for inorganic materials.

15. The importance of the shape of Cu2O nanocrystals on plasmon-enhanced oxygen evolution reaction in alkaline media

16. Metal phosphides as potential thermoelectric materials

17. The Abinit project: Impact, environment and recent developments

18. Jobflow: Computational Workflows Made Simple

19. Comprehensive ab initio study of doping in bulk ZnO with group-V elements

20. FireWorks: a dynamic workflow system designed for high‐throughput applications

21. Adiabatic Charge Control in a Single Donor Atom Transistor

22. How to verify the precision of density-functional-theory implementations via reproducible and universal workflows

24. How to verify the precision of density-functional-theory implementations via reproducible and universal workflows

27. First-principles investigation of CZTS Raman spectra

28. Automated Bonding Analysis with Crystal Orbital Hamilton Populations

29. Common workflows for computing material properties using different quantum engines

30. Amorphization mechanism of SrIrO3 electrocatalyst: How oxygen redox initiates ionic diffusion and structural reorganization

31. Ferroelectricity and multiferroicity in anti–Ruddlesden–Popper structures

32. The importance of the shape of Cu2O nanocrystals on plasmon-enhanced oxygen evolution reaction in alkaline media

33. OPTIMADE, an API for exchanging materials data

34. Common workflows for computing material properties using different quantum engines

35. Common workflows for computing material properties using different quantum engines

36. ABINIT: Overview and focus on selected capabilities

37. Amorphization mechanism of SrIrO 3 electrocatalyst: How oxygen redox initiates ionic diffusion and structural reorganization

38. ABINIT: Overview and focus on selected capabilities

40. The Abinitproject: Impact, environment and recent developments

42. Convergence and pitfalls of density functional perturbation theory phonons calculations from a high-throughput perspective

43. High-throughput density-functional perturbation theory phonons for inorganic materials

44. An Unlikely Route to Low Lattice Thermal Conductivity: Small Atoms in a Simple Layered Structure

45. Influence of Strain on the Surface–Oxygen Interaction and the Oxygen Evolution Reaction of SrIrO3

49. Oxygen evolution reaction electrocatalysis on SrIrO3grown using molecular beam epitaxy

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