Химическая свадьба Розенкрейцера

Celebrating the end of my first year as a PhD student with a review published in @JCIM_JCTC on ML methods for predicting redox properties. 🥳🥳🥳Thrilled about my first paper as a ✨theoretician✨. Here are some key takeaways, a 🧵: https://t.co/M3t4hvLrJf

Unlocking the Potential: Predicting Redox Behavior of Organic Molecules, from Linear Fits to Neural Networks

Redox-active organic molecules, i.e., molecules that can relatively easily accept and/or donate electrons, are ubiquitous in biology, chemical synthesis, and electronic and spintronic devices, such as solar cells and rechargeable batteries, etc. Choosing the best candidates from an essentially infinite chemical space for experimental testing in a target application requires efficient screening approaches. In this Review, we discuss modern in silico techniques for predicting reduction and oxidation potentials of organic molecules that go beyond conventional first-principles computations and thermodynamic cycles. Approaches ranging from simple linear fits based on molecular orbital energy approximation and energy difference approximation to advanced regression and neural network machine learning algorithms employing complex descriptors of molecular compositions, geometries, and electronic structures are examined in conjunction with relevant literature examples. We discuss the interplay between ab initio data and…

3 Body Problem | Official Teaser | Netflix

From the creators of Game of Thrones comes a stunning new blockbuster series unlike anything you’ve seen before. This is your first look at 3 Body Problem. SUBSCRIBE: http://bit.ly/29qBUt7 About Netflix: Netflix is one of the world's leading entertainment services with 233 million paid memberships in over 190 countries enjoying TV series, films and games across a wide variety of genres and languages. Members can play, pause and resume watching as much as they want, anytime, anywhere, and can change their plans at any time. 3 Body Problem | Official Teaser | Netflix https://www.youtube.com/@Netflix

Breaking Bad but in Germany

Patreon to support this channel, Hi-res images or just for prompts: https://www.patreon.com/user?u=87233464 Instagram: https://www.instagram.com/demonflyingfox Twitter: https://twitter.com/demonflyingfox Made with and sponsored by @d-id Studio.d-id.com #ai #breaking bad #aimeme

Google_Scholar_COA.ipynb

Colaboratory notebook

The Comforts Of Cyberpunk | Escape Into Meaning

PRE-ORDER ESCAPE INTO MEANING HERE: https://www.simonandschuster.com/books/Escape-into-Meaning/Evan-Puschak/9781982163952 10 DAYS LEFT!!!! BOOK FAQS: *Will the book be sold internationally?* Yes, Escape Into Meaning should available for shipping to most places around the world where English-language books are sold. Amazon is your best bet, but local retailers can also order books from abroad (may just take a bit longer). I don’t have a full list of where it’s available, and I don’t control this in any way, so I’m sorry if you can’t get the hardcover where you live. *Will the book be translated into other languages?* Escape Into Meaning is only available in English for now. Translated versions usually don’t happen unless there are significant sales. If this book gets translated, that means something went really right, but we won’t know that for some time. If there are going to be translations, I will let you know as soon as I do. *Is there an audiobook, and do you read it?* Yes, there is an audiobook, and yes I read it (which was such a thrill to do). It is available on Audible here: https://adbl.co/3birfo9 And it’s also available from other platforms, all of which you can find at the Simon & Schuster master link: https://bit.ly/3cGnr0f *Will you be doing live events for Escape Into Meaning?* Yes! I will be doing 2 in-person events. One at The Strand in NYC. Tickets here: https://bit.ly/3OOAOJf And I will be doing another at The Grove Barnes & Noble in Los Angeles. Tickets here: https://bit.ly/3cSjPIG These will be the only live events I’ll be doing. I’m sorry if you don’t live near these cities — but I will be doing a livestream event that will be available for everyone. When I have the link and details for that, I will share it with you. I will update this as more questions come in. Thanks! ISBN 978-1-9821-6395-2

PhD position (m/f/d) in computational materials science - HITS gGmbH

The Computational Carbon Chemistry (CCC) group at the Heidelberg Institute for Theoretical Studies (HITS gGmbH) is looking to fill a  PhD ...

Jan Jensen

My Machine Learning Basics website is getting there. Good thing because the course starts in a week 😬 The aim of the course is to introduce chemistry students to Python, machine learning, and @RDKit sites.google.com/view/ml-basics… #compchem