SOFTWARE AND RESOURCES

SurfEP

A Python program that allows predictions of adsorption energies of a variety of atoms and small molecules on many transition metal alloy surfaces. It requires only the surface structure; no calculated values are needed as input. This allows predictions in << 1s. Surface energies can also be predicted. Click here for a web interface, here for the code and here for the original manuscript describing it.

XPS Fitting From Density of States

A Python script that is useful for fitting peaks from XPS. The script takes a density of states of a material, typically calculated using density functional theory, and the experimental peak, and performs the fit. The code is given in the supporting information of the paper describing the method (click here).

ExCiteSearch

A Python program that locates relevant literature, based on papers that are already known to be relevant. Here is the code, and here is the manuscript describing it.

SOFTWARE AND RESOURCES

SurfEP

ExCiteSearch A Python program that locates relevant literature, based on papers that are already known to be relevant. Here is the code, and here is the manuscript describing it.

ExCiteSearch

A Python program that locates relevant literature, based on papers that are already known to be relevant. Here is the code, and here is the manuscript describing it.