Condensed Matter - Materials Science

A Transferable Recommender Approach for Selecting the Best Density Functional Approximations in Chemical Discovery
Approximate density functional theory (DFT) has become indispensable owing to its cost-accuracy trade-off in comparison to more …
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A Transferable Recommender Approach for Selecting the Best Density Functional Approximations in Chemical Discovery
Active Learning Exploration of Transition Metal Complexes to Discover Method-Insensitive and Synthetically Accessible Chromophores
Transition metal chromophores with earth-abundant transition metals are an important design target for their applications in lighting …
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Active Learning Exploration of Transition Metal Complexes to Discover Method-Insensitive and Synthetically Accessible Chromophores
Ligand Additivity Relationships Enable Efficient Exploration of Transition Metal Chemical Space
To accelerate the exploration of chemical space, it is necessary to identify the compounds that will provide the most additional …
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Ligand Additivity Relationships Enable Efficient Exploration of Transition Metal Chemical Space
Irreversible synthesis of an ultrastrong two-dimensional polymeric material
Polymers that extend covalently in two dimensions have attracted recent attention as a means of combining the mechanical strength and …
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Irreversible synthesis of an ultrastrong two-dimensional polymeric material