Molecular simulation of photoresists I: basic techniques for molecular simulation

摘要

Recent advances in computer hardware and software have provided the capability to simulate complex mixtures of compounds on a molecular level. These tools provide the potential for exploration of resist chemistry and mechanism on a molecular level with visual feedback. However, there are still limitations of software and hardware and time which require simplification of the simulations. Thus extensive methods development will be required to be able to produce simulations useful to predict resist properties. This paper discusses the basics of photoresist molecular simulation techniques, limitations of the current techniques, and the potential for using molecular simulations to explore various aspects of photoresist performance, particularly novolac-novolac and novolac-diazonaphthoquinone photoactive compound (DNQ PAC) hydrogen bonding.