PNNL

Abstract

As the world struggles with global climate change, rising oil costs, and increasing energy demands, it has become critical to search for alternative energy sources, more efficient chemical processes, and more environmentally benign materials. Computational methods-including molecular modeling and scientific informatics-have already made significant contributions to this area. Improved solar cells, more stable PEM fuel cells, and longer-lived batteries are just some of the outcomes. This book is a collection of scientific papers that were presented at a COMP division symposium at the ACS National Spring Meeting in San Diego in the spring of 2012. The focus of the symposium was on "Applications of computational methods to environmentally sustainable solutions." The symposium, which was held over 3 days and 6 sessions, brought together leading researchers from academia, national laboratories, and industry within the U.S. and around the world, and covered a broad spectrum of applications of computational approaches to environmentally sustainable solutions.