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Synthesis of single-layered fluorographdiyne nanosheets via selective on-surface 2D covalent polymerization
Announce Type: cross Abstract: Two-dimensional conjugated polymers (2DCPs) are significant macromolecular materials with intriguing and tunable physicochemical properties that depend on their geometries. Graphdiyne and its derivatives are exemplary 2DCPs featuring sp-sp2 hybridized skeletons. However, achieving single-layered, large-domain/regular graphdiyne and its derivatives on surfaces remains a formidable challenge due to the lack of selective 2D covalent polymerization methods.
Non-covalent Interactions at cm$^{-1}$ Accuracy: Data Efficient Physics-Informed Distillation for Machine Learning Interatomic Potentials
arXiv:2606.05127v1 Announce Type: new Abstract: Foundation models in atomistic machine learning encode interaction physics across diverse atomic environments, but whether that structure can be transferred when building specialist potentials at quantum-chemical accuracy remains open. Here we show that knowledge distillation from a pretrained universal machine-learning interatomic potential (MLIP), followed by coupled-cluster fine-tuning with single and double excitations and perturbative...