skip to main content


Title: Building capacity for undergraduate education and training in computational molecular science: A collaboration between the MERCURY consortium and the Molecular Sciences Software Institute
Abstract

The Molecular Sciences Software Institute (MolSSI) is an National Science Foundation (NSF) funded institute that focuses on improving software, education, and training in the computational molecular sciences. Through a collaboration with the Molecular Education and Research Consortium in Undergraduate computational chemistRY (MERCURY), the MolSSI has developed resources for undergraduate and other early career students to lay an educational foundation for the next generation of computational molecular scientists. The resources focus on introducing best practices in software engineering to students from the very start to make their software more useable, maintainable, and reproducible.

 
more » « less
Award ID(s):
2018427
NSF-PAR ID:
10456151
Author(s) / Creator(s):
 ;  ;  ;  ;  ;  ;  ;  
Publisher / Repository:
Wiley Blackwell (John Wiley & Sons)
Date Published:
Journal Name:
International Journal of Quantum Chemistry
Volume:
120
Issue:
20
ISSN:
0020-7608
Format(s):
Medium: X
Sponsoring Org:
National Science Foundation
More Like this
  1. Neuroscientists are increasingly relying on parallel and distributed computing resources for analysis and visualization of their neuron simulations. This requires expert knowledge of programming and cyberinfrastructure configuration, which is beyond the repertoire of most neuroscience programs. This paper presents early experiences from a one-credit graduate research training course titled ECE 8001 “Software and Cyber Automation in Neuroscience” at the University of Missouri for engendering multi-disciplinary collaborations between computational neuroscience and cyberinfrastructure students and faculty. Specifically, we discuss the course organization and exemplar outcomes involving a next-generation science gateway for training novice users on exemplar neuroscience use cases that involve using tools such as NEURON and MATLAB on local as well as Neuroscience Gateway resources. We also discuss our vision towards a course sequence curriculum for graduate/undergraduate students from biological/psychological sciences and computer science/engineering to jointly build “self- service” training modules using Jupyter Notebook platforms. Thus, our efforts show how we can create scalable and sustainable cyber and software automation for fulfilling a broad set of neuroscience research and education use cases. 
    more » « less
  2. At San Francisco State University, a Hispanic Serving Institute and a Primarily Undergraduate Institution, 67% of engineering students are from ethnic minority groups, with only 27% of Hispanic students retained and graduated in their senior year. Additionally, only 14% of students reported full-time employment secured at the time of graduation. Of these secured jobs, only 54% were full-time positions (40+ hours a week). To improve the situation, San Francisco State University, in collaboration with two local community colleges, Skyline and Cañada Colleges, was recently funded by the National Science Foundation through a Hispanic Serving Institute Improving Undergraduate STEM Education Strengthening Student Motivation and Resilience through Research and Advising program to enhance undergraduate engineering education and build capacity for student success. This project will use a data-driven and evidence-based approach to identify the barriers to the success of underrepresented minority students and to generate new knowledge on the best practices for increasing students’ retention and graduation rates, self- efficacy, professional development, and workforce preparedness. Three objectives underpin this overall goal. The first is to develop and implement a Summer Research Internship Program together with community college partners. The second is to establish an HSI Engineering Success Center to provide students with academic resources, networking opportunities with industry, and career development tools. The third is to develop resources for the professional development of faculty members, including Summer Faculty Teaching Workshops, an Inclusive Teaching and Mentoring Seminar Series, and an Engineering Faculty Learning Community. Qualitative and quantitative approaches are used to assess the project outcomes using a survey instrument and interview protocols developed by an external evaluator. This paper discusses an overview of the project and its first-year implementation. The focus is placed on the introduction and implementation of the several main project components, namely the Engineering Success Center, Summer Research Internship Program, and Faculty Summer Teaching Workshop. The preliminary evaluation results, demonstrating the great success of these strategies, are also discussed. 
    more » « less
  3. This Work-in-Progress paper in the Research Category uses a retrospective mixed-methods study to better understand the factors that mediate learning of computational modeling by life scientists. Key stakeholders, including leading scientists, universities and funding agencies, have promoted computational modeling to enable life sciences research and improve the translation of genetic and molecular biology high- throughput data into clinical results. Software platforms to facilitate computational modeling by biologists who lack advanced mathematical or programming skills have had some success, but none has achieved widespread use among life scientists. Because computational modeling is a core engineering skill of value to other STEM fields, it is critical for engineering and computer science educators to consider how we help students from across STEM disciplines learn computational modeling. Currently we lack sufficient research on how best to help life scientists learn computational modeling. To address this gap, in 2017, we observed a short-format summer course designed for life scientists to learn computational modeling. The course used a simulation environment designed to lower programming barriers. We used semi-structured interviews to understand students' experiences while taking the course and in applying computational modeling after the course. We conducted interviews with graduate students and post- doctoral researchers who had completed the course. We also interviewed students who took the course between 2010 and 2013. Among these past attendees, we selected equal numbers of interview subjects who had and had not successfully published journal articles that incorporated computational modeling. This Work-in-Progress paper applies social cognitive theory to analyze the motivations of life scientists who seek training in computational modeling and their attitudes towards computational modeling. Additionally, we identify important social and environmental variables that influence successful application of computational modeling after course completion. The findings from this study may therefore help us educate biomedical and biological engineering students more effectively. Although this study focuses on life scientists, its findings can inform engineering and computer science education more broadly. Insights from this study may be especially useful in aiding incoming engineering and computer science students who do not have advanced mathematical or programming skills and in preparing undergraduate engineering students for collaborative work with life scientists. 
    more » « less
  4. The California Community College system plays an important role in providing affordable and accessible education to diverse student populations by allowing them to complete all of their lower-division course work and then transfer to a four-year institution to complete a bachelor’s degree. However, the increasing divergence of the lower-division requirements among different four-year institutions and among the different fields of engineering, coupled with decreasing enrollments and resources, has forced many community colleges to cancel low-enrollment classes and high-cost programs including those in engineering. To address this issue, four community colleges in the San Francisco Bay Area developed an innovative program titled Creating Alternative Learning Strategies for Transfer Engineering Programs (CALSTEP). Funded by the National Science Foundation through the Improving Undergraduate STEM Education (IUSE) program, CALSTEP aims to enable small-to-medium community college engineering programs to support a comprehensive set of lower-division engineering courses that are delivered either completely online, or with limited face-to-face interactions. In addition to developing and implementing curriculum materials and resources for the core lower-division engineering courses, one of the main components of CALSTEP is disseminating the curriculum widely in California community college engineering programs. This is done through the Summer Engineering Teaching Institute, which is a two-day teaching workshop that introduces community college engineering faculty to the CALSTEP curriculum, and assists faculty in implementing the curriculum and developing alternative teaching and learning strategies to increase enrollment and improve teaching effectiveness. Results of curriculum development and the implementation of the Summer Engineering Teaching Institute will be highlighted in this paper, as well as future plans to maximize the impact of the program in increasing access to engineering education among thousands of community college engineering students and strengthening engineering transfer programs in the state. 
    more » « less
  5. Recent calls throughout the engineering education community have focused on increasing diversity and broadening participation in STEM, particularly within the field of engineering. Many of these conversations have been dominated by research examining race and gender, with little if any work addressing disability. Agencies such as the National Science Foundation and the American Institute for Research have begun to implore educators and researchers to include the experiences of disabled students within these conversations to gain a better understanding, meet the needs, and promote the success of this marginalized population. Such work is crucial to broadening participation in engineering, as students with disabilities can experience daily challenges not experienced by their peers without disabilities. Such challenges include the negotiation of physical, cultural, and bureaucratic structures to access necessary resources for academic and workplace success. In this paper, we introduce a recently-initiated longitudinal, grounded theory exploration of the experiences of civil engineering students with disabilities as they move through their undergraduate careers and into the workforce. To provide context and establish the need for this type of work in engineering education, we discuss prior research that highlights the current state of disability studies, particularly within the engineering education and higher education literature. We then identify the sensitizing concepts underpinning this study and outline our research methods, including data collection and analysis plans. As this project is currently in the initial phase, we conclude with a discussion of challenges encountered and strategies for overcoming those challenges as well as next steps. 
    more » « less