20 Best Computational Chemistry Blogs to Follow in 2026

1. Dr. Joaquin Barroso's Blog

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Description This blog of Dr. Joaquin Barroso, a computational chemist and associate researcher at the Joint Center for Research in Sustainable Chemistry (CCIQS), which is part of the Institute of Chemistry from the National Autonomous University of Mexico (UNAM). The website contains his blog, where he writes about topics such as artificial intelligence, quantum mechanics, molecular modeling, open-access publishing, and more.MORE Domain Authority 23 Get Email Contact Read Now

2. Computational Chemistry Highlights

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Email ****@chem.ku.dk
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3. Nature » Computational Chemistry

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Description Computational chemistry uses computer modeling and simulation including ab initio approaches based on quantum chemistry, and empirical approaches to study the structures and properties of molecules and materials. Computational chemistry is also used to describe computational techniques to understand the structure and properties of molecules and materials. Follow the blog to learn in detail about it.MORE Email ****@nature.com
Facebook 803.2KTwitter 2.6MInstagram 256.3K Domain Authority 94 Get Email Contact Read Now

4. Argonne » Computational Chemistry

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Description Argonne maintains a wide-ranging science and technology portfolio that seeks to address complex challenges in interdisciplinary and innovative ways. Below is a list of all articles, highlights, profiles, projects, and organizations related specifically to computational chemistry.MORE Email ****@anl.gov
Facebook 33.9KTwitter 77.3KInstagram 10.7K Domain Authority 79 Get Email Contact Read Now

5. BMC

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Description Journal of Cheminformatics is an open-access journal publishing original peer-reviewed research in all aspects of cheminformatics and molecular modeling. Coverage includes, but is not limited to chemical information systems, software, and databases, molecular modeling, chemical structure representations, and their use in structure, substructure, and similarity searching of chemical substance and chemical reaction databases, and more.MORE Email ****@springernature.com
Facebook 109.9KTwitter 2.6K Domain Authority 88 Get Email Contact Read Now

6. Chemistry World » Computational Chemistry

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Description Chemistry magazine bringing you the latest chemistry news and research every day. Published by the Royal Society of Chemistry.
Email ****@rsc.org
Facebook 883KTwitter 420.1K Domain Authority 68 Get Email Contact Read Now

7. Henry Rzepa Blog

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Description Henry Rzepa Blog is a blog by Henry Rzepa on Chemistry with a twist. Henry is an Emeritus Professor of Computational Chemistry at Imperial College London.
Email ****@imperial.ac.uk
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8. Practical Cheminformatics

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Description The Practical Cheminformatics blog is about the use of computer science and information technology in chemistry and related fields. It discusses topics such as interpreting machine learning models using counterfactuals, creating QSAR models with 8 lines of Python code, accessing and using drug data from the ChEMBL database, and generating new molecules using computational methods.MORE Twitter 3.8K Domain Authority 19 Get Email Contact Read Now

9. Cresset

https://www.cresset-group.com/about/news/ + Follow Blog
Description Cresset blog features articles on Computational chemistry, medicinal chemists, biologists, academics, drug discovery, small molecule discovery and design, outsourcing, software, and services.MORE Email ****@cresset-group.com
Twitter 1.1K Domain Authority 40 Get Email Contact Read Now

10. Macs in Chemistry Blog

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Email ****@sciencemastodon.com
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11. Life Chemicals Blog » Computational Chemistry

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Description Life Chemicals is a well-known producer and supplier of HTS compounds and a premium provider of custom synthesis and computational chemistry services for pharmaceutical, biotech, agrochemical companies, universities and academic institutions across the globe.MORE Email ****@lifechemicals.com
Facebook 261Twitter 72 Domain Authority 32 Get Email Contact Read Now

12. Laboratory News » Computational Chemistry

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Description The Laboratory News has a blog section for Computational Chemistry features how computer simulations and models can help understand and improve chemical processes. It also discusses how new technologies such as AI, digital twins, and Industry 4.0 can enable more efficient and sustainable chemistry research and applications.MORE Email ****@synthesismedia.co.uk
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13. Nextmol Blog

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Description Nextmol is a cloud-based platform to accelerate the design of new chemicals through molecular modeling and artificial intelligence for a more efficient R&D
Email ****@nextmol.com
Twitter 85 Domain Authority 33 Get Email Contact Read Now

14. The Valence Kjell

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Description I'm a postdoctoral researcher applying machine learning and artificial intelligence for inverse design of molecules and chemical reactivity in Alán Aspuru-Guzik's Matter Lab at the University of Toronto. I'm also associated with Chalmers University of Technology in Gothenburg, Sweden and the group of Martin Rahm.MORE Twitter 1.8K Domain Authority 7 Get Email Contact Read Now

15. CompChems

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Description I am a Ph.D. student working in the field of computational drug design.One of the challenges I have faced in my studies is the lack of easily accessible online resources and tutorials regarding computational chemistry. That's why I decided to create this online platform where beginners can learn about the field.I hope that this blog will provide a place for me to share my journey as a PhD student and for others to learn about computational chemistry.MORE Email ****@compchems.com
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16. Silico Studio Blog

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Description Im David and am an artistically trained scientist. I'm amazed by nature and all it's beauty. It is easy to enjoy nature just by looking around, but there is also another kind of beauty more difficult to spot. The hidden beauty of nature: atoms and molecules, following simple (or not so simple) rules, creating the entire universe.I'd like to help uncover this hidden beauty and share it with the world. Using computer graphics, I visualize concepts and ideas that show how nature works.MORE Email ****@gmail.com
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