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Chempluschem
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June 28, 2022
Automated Bonding Analysis with Crystal Orbital Hamilton Populations
Janine George, Guido Petretto, Aakash Naik, et al.
Digital Discovery
|
October 20, 2025
A python workflow definition for computational materials design
Jan Janssen, Janine George, Julian Geiger, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
April 24, 2021
Ferroelectricity and multiferroicity in anti-Ruddlesden-Popper structures
Maxime Markov, Louis Alaerts, Henrique Pereira Coutada Miranda, et al.
Nature Communications
|
August 18, 2025
An automated framework for exploring and learning potential-energy surfaces
Yuanbin Liu, Joe D Morrow, Christina Ertural, et al.
Small (Weinheim an Der Bergstrasse, Germany)
|
September 18, 2025
Mechanochemically Synthesized Covalent Organic Framework Effectively Captures PFAS Contaminants
Maroof Arshadul Hoque, Thomas Sommerfeld, Jan Lisec, et al.
Machine Learning: Science and Technology
|
October 6, 2025
32 examples of LLM applications in materials science and chemistry: towards automation, assistants, agents, and accelerated scientific discovery
Yoel Zimmermann, Adib Bazgir, Alexander Al-Feghali, et al.
Nature Materials
|
July 3, 2025
Accelerated data-driven materials science with the Materials Project
Matthew K Horton, Patrick Huck, Ruo Xi Yang, et al.
Faraday Discussions
|
December 18, 2024
Discovering trends in big data: general discussion
Ricardo Valencia Albornoz, Dmytro Antypov, Gerd Blanke, et al.
Faraday Discussions
|
December 18, 2024
Discovering synthesis targets: general discussion
Andy S Anker, Alán Aspuru-Guzik, Tim Bechtel, et al.
Faraday Discussions
|
December 12, 2024
Discovering chemical structure: general discussion
Alán Aspuru-Guzik, Tim Bechtel, Varinia Bernales, et al.
Page
of 4
Search research articles
Search
Showing results (21-30 of 33) with videos related to
Sort By:
Page
of 4
Chempluschem
|
June 28, 2022
Automated Bonding Analysis with Crystal Orbital Hamilton Populations
Janine George, Guido Petretto, Aakash Naik, et al.
Digital Discovery
|
October 20, 2025
A python workflow definition for computational materials design
Jan Janssen, Janine George, Julian Geiger, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
April 24, 2021
Ferroelectricity and multiferroicity in anti-Ruddlesden-Popper structures
Maxime Markov, Louis Alaerts, Henrique Pereira Coutada Miranda, et al.
Nature Communications
|
August 18, 2025
An automated framework for exploring and learning potential-energy surfaces
Yuanbin Liu, Joe D Morrow, Christina Ertural, et al.
Small (Weinheim an Der Bergstrasse, Germany)
|
September 18, 2025
Mechanochemically Synthesized Covalent Organic Framework Effectively Captures PFAS Contaminants
Maroof Arshadul Hoque, Thomas Sommerfeld, Jan Lisec, et al.
Machine Learning: Science and Technology
|
October 6, 2025
32 examples of LLM applications in materials science and chemistry: towards automation, assistants, agents, and accelerated scientific discovery
Yoel Zimmermann, Adib Bazgir, Alexander Al-Feghali, et al.
Nature Materials
|
July 3, 2025
Accelerated data-driven materials science with the Materials Project
Matthew K Horton, Patrick Huck, Ruo Xi Yang, et al.
Faraday Discussions
|
December 18, 2024
Discovering trends in big data: general discussion
Ricardo Valencia Albornoz, Dmytro Antypov, Gerd Blanke, et al.
Faraday Discussions
|
December 18, 2024
Discovering synthesis targets: general discussion
Andy S Anker, Alán Aspuru-Guzik, Tim Bechtel, et al.
Faraday Discussions
|
December 12, 2024
Discovering chemical structure: general discussion
Alán Aspuru-Guzik, Tim Bechtel, Varinia Bernales, et al.
Page
of 4