Predicting ground state with novel quantum descriptor of molecules using QML

[justids]

Abstract

Let's predict ground state energy with novel quantum descriptor!

Description

Ground state energy of molecules have been predicted using classical NN. To feed the NN information about molecules should be preprocessed properly. Lot of classical preprocessing techniques used such as ACSF, SOAP, However these descriptors are for classical settings, not accurate with large molecule and have fundamental limit(high lower bound).
With quantum computer we expect something better. We aim to find better "quantum" descriptor that can outperform classical settings assuming that both case possesses same amount of information. Specifically, we aim to beat the 2nd generation NN potentials.

Members

• @githubhandle
• @githubhandle - Slack: @slackhandle email: example@example.com
• @justids
• @GoByeongseon
• @double-S
• @Treeboy2762
• @expo1221
• @Jaehoon-zx
• @GyeonghunKim --mentor
• @obliviateandsurrender --mentor

Deliverable

Four Generations of High-Dimensional Neural Network Potentials, https://pubs.acs.org/doi/abs/10.1021/acs.chemrev.0c00868

GitHub repo

[GyeonghunKim]

I want to be a mentor in this project!

[Treeboy2762]

I want to join, but do I need a major-level background in Chemistry / Materials science?

[obliviateandsurrender]

I can mentor this project as well!

[expo1221]

I want to join!

[GoByeongseon]

i want to join this project!

[double-S]

I want to join!

[justids]

I want to join, but do I need a major-level background in Chemistry / Materials science?

Thanks for joining out teams! ^_^

[justids]

I can mentor this project as well!

Thank you for being our mentor

[justids]

I want to join!

Could you DM me at the SLACK?

[expo1221]

I can't find you as 'justids' at SLACK. How can I find you??
I am Seungwon Jung in Slack.

[expo1221]

I want to join!

Could you DM me at the SLACK?

I can't find you as 'justids' at SLACK. How can I find you??
I am Seungwon Jung in Slack.

[starktech23]

@expo1221 was this resolved? @justids were you able to connect?

I want to join!

Could you DM me at the SLACK?

I can't find you as 'justids' at SLACK. How can I find you?? I am Seungwon Jung in Slack.

[expo1221]

@justids Can you give me a DM?? I can't find you.

[Jaehoon-zx]

Hello, I am interested in this project! Can I join?

[justids]

@justids Can you give me a DM?? I can't find you.

I have send you a DM
My name is Son Youngoh