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Progress toward the computational discovery of new metal–organic framework adsorbents for energy applications
Metal–organic frameworks (MOFs) are a class of nanoporous material precisely synthesized
from molecular building blocks. MOFs could have a critical role in many energy …
from molecular building blocks. MOFs could have a critical role in many energy …
Biomedical metal–organic framework materials: perspectives and challenges
A Wang, M Walden, R Ettlinger… - Advanced functional …, 2024 - Wiley Online Library
Metal–organic framework (MOF) materials are gaining significant interest in biomedical
research, owing to their high porosity, crystallinity, and structural and compositional diversity …
research, owing to their high porosity, crystallinity, and structural and compositional diversity …
ChatGPT chemistry assistant for text mining and the prediction of MOF synthesis
We use prompt engineering to guide ChatGPT in the automation of text mining of metal–
organic framework (MOF) synthesis conditions from diverse formats and styles of the …
organic framework (MOF) synthesis conditions from diverse formats and styles of the …
ChatMOF: an artificial intelligence system for predicting and generating metal-organic frameworks using large language models
ChatMOF is an artificial intelligence (AI) system that is built to predict and generate metal-
organic frameworks (MOFs). By leveraging a large-scale language model (GPT-4, GPT-3.5 …
organic frameworks (MOFs). By leveraging a large-scale language model (GPT-4, GPT-3.5 …
Computational and Machine Learning Methods for CO2 Capture Using Metal–Organic Frameworks
H Mashhadimoslem, MA Abdol, P Karimi… - ACS …, 2024 - ACS Publications
Machine learning (ML) using data sets of atomic and molecular force fields (FFs) has made
significant progress and provided benefits in the fields of chemistry and material science …
significant progress and provided benefits in the fields of chemistry and material science …
Expanding the horizons of machine learning in nanomaterials to chiral nanostructures
Abstract Machine learning holds significant research potential in the field of nanotechnology,
enabling nanomaterial structure and property predictions, facilitating materials design and …
enabling nanomaterial structure and property predictions, facilitating materials design and …
Topological characterization of metal–organic frameworks: a perspective
Metal–organic frameworks (MOFs) began to emerge over two decades ago, resulting in the
deposition of 120 000 MOF-like structures (and counting) into the Cambridge Structural …
deposition of 120 000 MOF-like structures (and counting) into the Cambridge Structural …
Large language models for reticular chemistry
Reticular chemistry is the science of connecting molecular building units into crystalline
extended structures such as metal–organic frameworks and covalent organic frameworks …
extended structures such as metal–organic frameworks and covalent organic frameworks …
Multiscale modeling of physical properties of nanoporous frameworks: predicting mechanical, thermal, and adsorption behavior
Conspectus Nanoporous frameworks are a large and diverse family of supramolecular
materials, whose chemical building units (organic, inorganic, or both) are assembled into a …
materials, whose chemical building units (organic, inorganic, or both) are assembled into a …
Data-Driven Design of Flexible Metal–Organic Frameworks for Gas Storage
Flexible metal–organic frameworks (MOFs) can show remarkable properties that can be
useful for various gas separation and storage applications. However, due to the relatively …
useful for various gas separation and storage applications. However, due to the relatively …