Electron density learning of non-covalent systems

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We propose a local, non -intrusive model order reduction technique to accurately approximate the solution of coupled multi -component parametrized systems governed by partial differential equations. Our approach is based on the approximation of the boundar ...

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Controlled atomic patterning is an attractive tool to fine tune properties of graphitic lattice. Several O-functionalized derivatives of graphitic lattice have been widely studied, e.g., graphene oxide, reduced graphene oxide, and functionalized carbon nan ...

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Electron density learning of non-covalent systems

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A Deep Learning Model for Chemical Shieldings in Molecular Organic Solids Including Anisotropy

Model reduction of coupled systems based on non-intrusive approximations of the boundary response maps

Bulk measurement of membrane permeability for random cyclic peptides in living cells to guide drug development

Iterative removal of sources to model the turbulent electromotive force

Fair Decentralized Learning

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Comparing various AI approaches to traditional quantitative assessment of the myocardial perfusion in [82Rb] PET for MACE prediction

Reliable data-driven decision-making through optimal transport

Plasmonically enhanced molecular junctions for investigation of atomic-scale fluctuations in self-assembled monolayers

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Nanolithography of the nanocorral structure of chemisorbed oxygen atoms on the graphitic lattice

Performing and Detecting Backdoor Attacks on Face Recognition Algorithms

Residual-based attention in physics-informed neural networks