Lumo accelerates the visualization of molecular orbitals from electronic structure calculations by harnessing the power of the graphics processing unit in modern macs. Lumo currently reads formatted checkpoint files from Gaussian03/09 calculations and output files from Orca calculations with more formats coming soon.

What's New

Version 1.0.3

Updated for Yosemite and fixed a few minor bugs.

Customer Reviews

4.3 out of 5

6 Ratings

6 Ratings

A godsend for generating molecular orbtial pictures

Ken Light

As a researcher, I currently need to generate a lot of MO pictures for meetings with my advisor and for publications. Using other programs, this can take almost forever… but with Lumo, I can generate a high-quality image of a MO in seconds. It is also possible to view thumbnails of many MOs simultaneously (which are listed as being occupied or virtual, and alpha or beta if you have a spin-unrestricted calculation) to help you pick out the MOs you want… or ones you hadn't thought to include before, without taking a ton of time. This has freed up a significant amount of time for me to do other things. Keep in mind that this program isn't perfect (so far, it's been made by only one guy!), but Dr. Kieber-Emmons has always responded quickly to any bugs I've found, and I'm sure we can expect a lot of neat additional features as he releases new versions. If you deal with quantum calculations and need to frequently look at orbitals, than I recommend you check out this program… I do not think you will be disappointed.

Perfect Program for Generating High Quality MO Pictures


As a relative novice with computational chemistry and a bench chemist by nature, I was so happy to find LUMO since I didn't want to spend all of my time in front of the computer. It is SO easy to use, I almost can't believe it. Beautiful molecular orbitals are generated in a matter of seconds and then you can paste high resolution pictures into your document or presentation in just a few more seconds. Honestly, LUMO stands at the intersection of elegance and utility, truely deserving of a Mac platform.

Matt Kieber-Emmons was really helpful with a few snares I found in my calculations along the way. It is the best $25 I ever spent and considering this is just version 1.1, I can't wait to see what will be in future versions.


Future is now!! Design cool molecules on computers before in the lab!


This app solves a problem that all comptuational chemists try to solve with scripting duct tape & fail -- how do I rapidly & visually compare the electronic structure of a bunch of molecules to find out what really matters!

I can't even count the hours in the day I spent copying, pasting, parsing log files and rendering MOs that I could otherwise be using to drink more coffee or finishing up papers to get my PhD sooner and thus making my wife happier.

Spend more time with your significant other and get your PhD & tenure faster with Lumo.


matthew Kieber-Emmons
4.1 MB
Age Rating
Rated 4+
© Matthew T. Kieber-Emmons


  • Family Sharing

    With Family Sharing set up, up to six family members can use this app.