Teaching Programming across the Chemistry Curriculum
Published on 29. September 2022
Book
Hardback
192 pages
978-0-8412-9819-4 (ISBN)
Description
Incorporating necessary skills for research and career success
Programming and computational science is an essential part of chemistry, yet some curricula still do not prioritize its inclusion. This work contains a collection of strategies, activities, and resources available to incorporate programming into all levels of the chemistry curriculum, with a focus on how the programming learning objectives are integrated with chemistry learning objectives. Chapters highlight best practices in software development, emphasize their importance to the future of
computational molecular sciences, and describe challenges instructors might face in implementing programming in their own curriculum.
Programming and computational science is an essential part of chemistry, yet some curricula still do not prioritize its inclusion. This work contains a collection of strategies, activities, and resources available to incorporate programming into all levels of the chemistry curriculum, with a focus on how the programming learning objectives are integrated with chemistry learning objectives. Chapters highlight best practices in software development, emphasize their importance to the future of
computational molecular sciences, and describe challenges instructors might face in implementing programming in their own curriculum.
More details
Series
Language
English
Place of publication
New York
United States
Illustrations
63 illustrations
Dimensions
Height: 258 mm
Width: 182 mm
Thickness: 18 mm
Weight
636 gr
ISBN-13
978-0-8412-9819-4 (9780841298194)
Copyright in bibliographic data and cover images is held by Nielsen Book Services Limited or by the publishers or by their respective licensors: all rights reserved.
Schweitzer Classification
Persons
Ashley Ringer McDonald is an Associate Professor of Chemistry at California Polytechnic State University in San Luis Obispo. She received her bachelor's degree from Mississippi College and her Ph.D. from the Georgia Institute of Technology. Her research focuses on using multiscale modeling to study molecular interactions in complex chemical contexts. She has a significant interest in discipline-specific programming education and helping all students
develop the computational skills they need to succeed in the twenty-first century STEM workforce. McDonald is a sought-after speaker and workshop leader in this area.
At Cal Poly, McDonald is involved in the Data Science Strategic Research Initiative where she works on outreach programming to teach the Cal Poly community about data science and programming. She is an Associate of the Molecular Sciences Software Institute (MolSSI) and a member of the MERCURY Consortium. She also leads Psi4Education, the education and outreach program of the quantum
chemistry software package Psi4, and serves as the Undergraduate Programming Chair for the Computers in Chemistry (COMP) division of the American Chemical Society.
Jessica Nash is a Software Scientist and the Education Lead at TheMolecular Sciences Software Institute (MolSSI) in Blacksburg, Virginia. She received her bachelor's degree in Chemistry from UNC Chapel Hill and her Ph.D. in Materials Science and Engineering from North Carolina State University. Her research background is in soft materials and molecular dynamics simulations. As a Software Scientist at MolSSI, she works on project related to productivity and interoperability.
As the MolSSI Education Lead, Nash uses scientific domain knowledge and software design principles to build programming tutorials and resources for researchers in the computational molecular sciences. She has also designed and taught courses for industry and academic institutions including UC Berkeley's Master of Molecular Science and Software Engineering
program. Under her leadership, MolSSI's Education program has grown to be a valuable and well-recognized resource within the computational molecular sciences community.
develop the computational skills they need to succeed in the twenty-first century STEM workforce. McDonald is a sought-after speaker and workshop leader in this area.
At Cal Poly, McDonald is involved in the Data Science Strategic Research Initiative where she works on outreach programming to teach the Cal Poly community about data science and programming. She is an Associate of the Molecular Sciences Software Institute (MolSSI) and a member of the MERCURY Consortium. She also leads Psi4Education, the education and outreach program of the quantum
chemistry software package Psi4, and serves as the Undergraduate Programming Chair for the Computers in Chemistry (COMP) division of the American Chemical Society.
Jessica Nash is a Software Scientist and the Education Lead at TheMolecular Sciences Software Institute (MolSSI) in Blacksburg, Virginia. She received her bachelor's degree in Chemistry from UNC Chapel Hill and her Ph.D. in Materials Science and Engineering from North Carolina State University. Her research background is in soft materials and molecular dynamics simulations. As a Software Scientist at MolSSI, she works on project related to productivity and interoperability.
As the MolSSI Education Lead, Nash uses scientific domain knowledge and software design principles to build programming tutorials and resources for researchers in the computational molecular sciences. She has also designed and taught courses for industry and academic institutions including UC Berkeley's Master of Molecular Science and Software Engineering
program. Under her leadership, MolSSI's Education program has grown to be a valuable and well-recognized resource within the computational molecular sciences community.