This project aims to enable breakthroughs and innovations in education models, concepts and processes to enhance training through the integration of state-of-the-art computer simulations into STEM curricula. These computational tools will help to cultivate a new crop of innovators who will face global challenges in energy and the environment. Syracuse University Scientific Exploration through Simulation (SETS) project is an important first step in the development of cyber infrastructure that will enable the implementation of novel and unique mechanisms and help create and train a workforce well-equipped to use computer simulations as a means of scientific discovery. In this demonstration phase of the SETS project, the team is focusing on the development and implementation of a sustainable and scalable mechanism to allow for the infusion of state-of-the-art computational tools into K-12 STEM education at multiple schools in the Syracuse area. This is focused upon in silico (computer) design and discovery of energy materials.
The intellectual merit of the proposed project stems from mating advances in interface generation, cloud computing, and open source computational simulation with sound curricular principles to train a new generation of scientists and teachers to reinforce classroom learning, promote after school project-oriented explorations and engage students in hypothesis-driven research and discovery, and to, ultimately, tackle the formidable challenges in the renewable energy arena. To support the achievement of the overall goal, the following project objectives have been established: 1. The training of highly qualified STEM teachers 2. The design of use cases that will allow for multiple-levels of student engagement, ranging from in class demonstrations and homework exercise to longer-term hypothesis driven research 3. The creation of necessary cyber infrastructure components, by developing consistent easy-to-use user interfaces, an online repository of completed simulations and distributed location service and cloud man-agement
4. The implementation of the developed in silico learning mechanism in K-12 STEM education through a limited number of pilot projects
The proposed activities will allow for broader participation among diverse groups of students and teachers within the Syracuse area. In addition, transformative broader impacts are anticipated based on the synergies among the component features in the cyberinfrastructure tools to be developed in this project. First, the simulations are based on free open source software that can be customizable by other groups. Second, the user interface will be accessible to users with basic computer proficiency. From a curricular point of view, the interface-driven simulations unveil the concepts, relationships, processes, mechanisms, models, and applications which are otherwise hidden in the methodological/algorithmic complexities. Third, the potential for expansion of the cloud-enabled approach is limitless. A natural extension of the demonstration project is to make the use cases accessible to a large number of schools in the I-90 corridor of Upstate NY State. Nationwide implementation can also be achieved by other groups emulating the approach and software tools. Such efforts will continuously enrich the library of curricular materials, which can be disseminated via the National Science Digital Library or through ftp sites. Cloud-enabled simulations will also be beneficial to user communities such as R&D scientists in the many small technology startups focused on the development of functional nanomaterials, efficient photovoltaics and photocatalytic processes.
The goals of the Syracuse University Scientific Exploration through Simulation (SETS) project was to develop and pilot test a systematic curriculum that introduces and provides hands on training to K-12 teachers and students in state-of-the-art open source computer simulations that help understand molecular structure/dynamics and molecular-scale phenomena in physical, chemical and biological systems and their relevance to the energy field. The role of such simulations in design and discovery in various fields of engineering and technology was emphasized through examples derived from contemporary research. The SETS project is an important first step in the development of cyber infrastructure that will enable the implementation of novel and unique mechanisms and help create and train a workforce well-equipped to use computer simulations as a means of scientific discovery. The major goal of the demonstration phase of the SETS project was to develop and implement of a sustainable and scalable mechanism that will allow for the perfusion of the state-of-the-art computational tools into K-12 STEM education at schools in the Syracuse area, with a focus on in silico design and discovery of energy materials. To support the achievement of this goal, the following project objectives were successfully pursued: 1. The training of highly qualified STEM teachers 2. The design of use cases that will allow for multiple-levels of student engagement, ranging from in class demonstrations and homework exercise to longer-term hypothesis driven research 3. The creation of necessary cyber infrastructure components, by developing consistent easy-to-use user interfaces, an online repository of completed simulations and distributed location service 4. The implementation of the developed in silico learning mechanism in K-12 STEM education through a limited number of pilot projects in collaboration with the Syracuse Academy of Science (a charter school in the city of Syracuse) and East Syracuse Minoa high school The major impact of the SETS project on Cyber Infrastructure is the development of curricular materials for visualization and analysis of molecular structures as well as molecular simulations. These range from relatively simple tools such as AVOGADRO that can be installed and run on laptops or notebooks to molecular dynamics simulation software such as GROMACS used routinely in design and discovery in R&D, the execution of which requires parallel computing platforms. The curriculum also provides the technical knowhow about the use of operating systems, editing environment, data curation, post-processing and visualization. All of the materials are built on open source software, thereby avoiding the need for licensing agreements/fees and allowing for user-driven improvements and innovations. By making available a systematic curriculum that contains an array of open source software, the SETS project has significantly increased the access of communities of students and educators to state of the art computational chemistry tools. The SETS project has contributed significantly to Chemistry Education as evidenced by the feedback received from the student and teacher participants. The teachers felt that the use of computer simulations into the student experience is an improvement over the tried-and-true traditional methods of teaching molecular geometry and dynamics. Further molecular simulations were found to be extremely useful in reinforcing concepts while sparking interest in open-ended and student-driven inquiry leading to identification of research topics. This is evidenced by the fact that many of the project alumni chose to pursue research at Syracuse University or elsewhere. In some case, the SETS project experience was identified by students as a key determinant of their decision to pursue higher studies in a STEM discipline. In June 2014, the high school teachers and Syracuse University researchers involved in this pilot study met to reflect on the overall project experience, explore avenues for improvement and discuss strategies to increase the impact of the project to benefit a larger body of students. Reaching out to teachers was identified as an effective strategy to broaden the adoption of the SETS curriculum to enhance instruction and learning. Specifically, in order to facilitate widespread permeation, the curriculum needs to be integrated into lesson plans and classroom activities. Towards this end, we plan to seek support from organizations such as the American Association of Chemistry Teachers and the Science Teachers Association of New York State.
