rdguha1995

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icon company Lawrence Berkeley National Laboratory icon location Berkeley icon location Postdoctoral researcher interested in everything which connects chemistry to the computers.

Results 3 comments of rdguha1995

[PRE REVIEW]: ThermoCodegen: a python/C++ package for the generation of custom thermodynamic models

Hey @kyleniemeyer! Yup I can do it.

Advertising the atomate2 paper writing

Thanks @Zhuoying for nominating me and @rkingsbury. This is a question to both @Zhuoying and @utf . For DFT code contributions, do we have a blueprint similar to the one...

[WIP] Frequency Flattening Optimizer

Apologies for being late to this! Firstly, a huge shout out to @rohithsrinivaas for his work on this. I think there has already been an extensive discussion on the overall...