Network for Computational Nanotechnology

Excellence in Computer Simulation

Overview

Computational science is frequently labeled as a third branch of science - equal in standing with theory and experiment. Computational engineering is now an essential component of technology development and manufacturing. The successes of computational science and engineering (CSE) over the past two-three decades have been substantial, but at the beginning of a new century, it is useful to reflect on what has been accomplished, on how computational science and engineering are evolving, and on how we can be even more successful in the future. A conversation along these lines has already begun. For example, Leo Kadanoff has encouraged computational experts to move beyond simply verifying experiments and play a more assertive role in leading science [1]. Greg Wilson argues that computational scientists don’t follow practices of documentation and preservation of data that experimentalists expect of themselves [2]. Douglass Post and Lawrence Votta assert that computational science needs a new paradigm [4]. The objective of this forum is not to develop a consensus or a strategic plan for computational science and engineering. It is simply to begin a discussion within the Network for Computational Nanotechnology (NCN), as we begin to chart our long-term future. It’s also an opportunity for NCN students, who are preparing themselves for careers in computational science and engineering, to think about how they prepare themselves for careers in CSE. And this might spark a discussion within the broader community of computational experts and others.

The plan is to bring together 1-2 dozen experts who have made strong contributions to CSE and who have also thought deeply about the field. The one-day event will include individual talks and discussion. The event will be recorded in video and voiced PowerPoint formats and disseminated through the nanoHUB (www.nanoHUB.org). We hope to see a written summary of the forum and the main ideas and issues discussed published in an academic journal / magazine. By widely disseminating the forum, we hope to provide a resource for students preparing for careers in science and engineering and to simulate a broader discussion within the NCN and across the national and international research community.

Background Informtation