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Scientific reports
Aug 29, 2022
Design problems of finding efficient patterns, adaptation of complex molecules to external environments, affinity of molecules to specific targets, dynamic adaptive behavior of chemical systems, reconstruction of 3D structures from diffraction data a...
ACS macro letters
Aug 26, 2022
The application of machine learning to the materials domain has traditionally struggled with two major challenges: a lack of large, curated data sets and the need to understand the physics behind the machine-learning prediction. The former problem is...
Journal of computational chemistry
Aug 24, 2022
Conformer-RL is an open-source Python package for applying deep reinforcement learning (RL) to the task of generating a diverse set of low-energy conformations for a single molecule. The library features a simple interface to train a deep RL conforme...
ACS applied bio materials
Jul 15, 2022
The organ-on-a-chip (OoC) paves a way for biomedical applications ranging from preclinical to clinical translational precision. The current trends in the in vitro modeling is to reduce the complexity of human organ anatomy to the fundamental cellular...
Nature nanotechnology
Jun 2, 2022
High-performance actuating materials are necessary for advances in robotics, prosthetics and smart clothing. Here we report a class of fibre actuators that combine solution-phase block copolymer self-assembly and strain-programmed crystallization. Th...
Advanced materials (Deerfield Beach, Fla.)
Apr 12, 2022
Wearable auditory sensors are critical in user-friendly sound-recognition systems for smart human-machine interaction and the Internet of Things. However, previously reported wearable sensors have limited sound-sensing quality as a consequence of a p...
Nanoscale
Mar 31, 2022
Fibrous networks play an essential role in the structure and properties of a variety of biological and engineered materials, such as cytoskeletons, protein filament-based hydrogels, and entangled or crosslinked polymer chains. Therefore, insight into...
Small (Weinheim an der Bergstrasse, Germany)
Feb 20, 2022
Shape-reconfigurable materials are crucial in many engineering applications. However, because of their isotropic deformability, they often require complex molding equipment for shaping. A polymeric origami structure that follows predetermined deforme...
Biomacromolecules
Feb 8, 2022
This Perspective outlines recent progress and future directions for using machine learning (ML), a data-driven method, to address critical questions in the design, synthesis, processing, and characterization of . The achievement of these tasks requir...
Analytical chemistry
Jan 27, 2022
Five fluorescent positively charged poly(-aryleneethynylene) (-) were designed to construct electrostatic complexes - with negatively charged graphene oxide (). The fluorescence of conjugated polymers was quenched by the quencher . Three electrostati...