Multi-replica biased sampling for photoswitchable ?-conjugated polymers

Online Multi-Task Learning Using Biased Sampling

One of the long-standing challenges in Artificial Intelligence for goal-directed behavior is to build a single agent which can solve multiple tasks. Recent progress in multi-task learning for learning behavior in many goal-directed sequential tasks has been in the form of distillation based learning wherein a single student network learns from multiple task-specific teacher networks by mimickin...

Chiral -conjugated organoboron polymers*

A novel π-conjugated organoboron polymer with a chiral side chain was prepared by way of hydroboration polymerization between an optically active diyne monomer and triisopropylphenylborane. The achiral analog of this organoboron polymer was also prepared as reference material. Optical properties and optical activity were investigated by UV–vis absorption, fluorescence emission, and circular dic...

Fully conjugated ladder polymers

Fully conjugated ladder polymers (cLPs), in which all the backbone units on the polymer main-chain are π-conjugated and fused, have attracted great interest owing to their intriguing properties, remarkable chemical and thermal stability, and potential suitability as functional organic materials. The synthesis of cLPs can be, in general, achieved by two main strategies: single-step ladderization...

Nanoparticles of conjugated polymers.

Hessian Biased Force Field for Polysilane Polymers

We report a force field (FF) suitable for molecular dynamics simulations of polysilane polymers. This FF, denoted MSXX, was developed using the Hessian biased method to describe accurately the vibrational states, the a b initio torsional potential energy surface, and the ab initio electrostatic charges of polysilane oligomers. This MSXX FF was used to calculate various spectroscopic and mechani...