Molecular Systems Design & Engineering

Programmable reactions and diffusion using DNA for pattern formation in hydrogel medium

Repertoire Builder: high-throughput structural modeling of B and T cell receptors

Molecular engineering of perovskite photodetectors: recent advances in materials and devices

Tuning the molecular weight distribution from atom transfer radical polymerization using deep reinforcement learning

Correlative analysis of metal organic framework structures through manifold learning of Hirshfeld surfaces

Computational screening, synthesis and testing of metal-organic frameworks with a bithiazole linker for carbon dioxide capture and its green conversion into cyclic carbonates

Effect of symmetric and asymmetric substitution on the optoelectronic properties of 10-dicyanoanthracene

Charge transfer dynamics in conjugated polymer/MoS2 organic/2D heterojunctions

Continuum models for directed self-assembly

A solution-processable dissymmetric porous organic cage