The MolSSI builds open-source software and data that serve the computational molecular science community.
The MolSSI continues to fund prestigious software fellowships that recognize advanced graduate students and postdocs pursuing the development of software infrastructure, middleware, and frameworks that will benefit the broader field of computational molecular sciences, including biomolecular and macromolecular simulation, quantum chemistry, and materials science.
The Molecular Sciences Software Institute (MolSSI) and Intel invite you to register for the upcoming Fundamentals of Data-Parallel C++ and SYCL workshop:
We encourage everyone to sign up as early as possible due to the limited number of seats available.
You can stay up-to-date about the upcoming workshops by subscribing to our newsletter here.
After reviewing many impressive applications, the MolSSI is pleased to announce that the Science and Software Advisory Board has selected our new 2022-23 Software Fellows! They are:
Our new MolSSI Software Fellows will receive a full year of support and mentoring by the MolSSI’s Software Scientist team.
The many exceptional applicants made the selection process extremely difficult. We are confident that our new Fellows will use this opportunity to excel in their research areas, and grow as researchers & scientists in their individual fields.
Congratulations to all our new fellows; we’re incredibly excited to have you on board!
MolSSI’s Materials Science Workshop, organized by Prof. Dominika Zgid at the University of Michigan, is intended to connect the materials science community and to identify and examine the specific initiatives that MolSSI can undertake that will be most beneficial. While the materials science community is very large and diverse, we will focus here on the part of the community where extensive interactions with the theoretical chemistry community are already either established or desired in the future. We will also have extensive discussions on how to “cast” our net wider and connect with other parts of this community.
This workshop will have two parts:
The challenges that appeal both to the materials science and quantum chemistry community are the following:
On-line workshop format: 5 days, 4 speakers per session, panel discussion to facilitate finding how MolSSI can contribute and be engaged with the community. This workshop should engage both materials scientists and quantum chemistry community members interested in working on solid state problems.
Confirmed Speakers
Registration for the Virtual Workshop is required via THIS LINK.
Questions about the workshop can be directed to Prof. Zgid.
The Molecular Sciences Software Institute (MolSSI) is pleased to announce the 2022-23 Software Fellowship competition for ONE-YEAR Fellowships (from 1 July 2022 thru 30 June 2023). These prestigious Fellowships recognize advanced graduate students and postdocs pursuing the development of software infrastructure, middleware, and frameworks that will benefit the broader field of computational molecular sciences, including biomolecular and macromolecular simulation, quantum chemistry, and materials science. Recipients will have the opportunity to work with scientists at the MolSSI in order to implement recommended best practices, putting the Fellow’s project on a firm foundation. Fellows will receive specialized training in state-of-the-art software design principles and tools, and they will engage in outreach and educational efforts organized by the MolSSI. Each Fellow will be assigned a mentor among the Institute’s Software Scientists, who will oversee their software development efforts and training. In addition, the 2022-23 Fellows will spend a week at MolSSI HQ (typically in August) to interact with the Software Scientists during their “Software Best Practices Boot Camp” (health conditions permitting–virtual if we must!).
Inquiries to: fellowships@molssi.org
The MolSSI Software Fellowships will include a number of benefits:
Graduate Student Fellowships:
Postdoctoral Fellowships:
Note that MolSSI Fellowships are paid from NSF Participant Support funds. The only allowable expense categories are stipend, tuition and fees; F&A (indirect costs) and health insurance costs are not allowed.
Eligibility and Selection Criteria:
The MolSSI Software Fellowship program is presently limited to graduate students and postdoctoral associates at accredited U.S. academic institutions. Graduate student Fellows are expected to be enrolled full time at their home university, and postdocs must be fully employed or have an offer of full employment prior to acceptance of the award. The MolSSI Software Fellowships are an equal opportunity program open to all qualified persons without regard to race, gender, religion, age, physical disability or national origin. Awardees may accept other concurrent awards that do not require a significant time or service commitment.
MolSSI Software Fellows will be selected by the MolSSI Science and Software Advisory Board based on (1) the quality of the applicant’s software research proposal and its relevance to the Institute’s goals; (2) the applicant’s research productivity, including previous software-development efforts; (3) previous academic performance; and (4) external references.
Application Requirements:
A complete MolSSI Software Fellowship Application must include:
Please complete the application and upload the required documents HERE.
Letters of recommendation should be uploaded separately by your references HERE.
To receive full consideration for a Software Fellowship, all application materials (including letters of recommendation) must be submitted by April 1, 2022.
Additional Information:
The Molecular Sciences Software Institute (MolSSI) and NVIDIA Deep Learning Institute (DLI) invite you to register for upcoming hands-on on workshops in high-performance computing and machine learning:
The number of seats are limited and in order to ensure the quality of these workshops, we will not extend the registration capacity. Therefore, we encourage everyone to sign up as early as possible.
You can stay up-to-date about the upcoming workshops by subscribing to our newsletter here.
The Molecular Sciences Software Institute is hosting two events at the 2022 Biennial Conference on Chemical Education (BCCE). BCCE is a national meeting sponsored by the Division of Chemical Education of the American Chemical Society (ACS). The conference is designed for those who teach chemistry at all levels, and is taking place July 31 to August 4, at Purdue University in West Lafayette, Indiana.
First, MolSSI will offer a workshop on teaching Python programming, and organize a symposium on teaching programming in the chemistry curriculum. More information on each event can be seen in the descriptions below.
Teach the Teachers Workshop: MolSSI is hosting a short version of our “Teach the Teachers Workshop” as part of the conference workshop schedule. In this day-long workshop, instructors will be trained to teach the MolSSI Python Data and Scripting workshop. While participants with prior python experience are welcome, no prior knowledge is required. You can register for the workshop through the conference registration page.
Teaching Programming in the Chemistry Curriculum: Approaches, Challenges, and Best Practices: MolSSI is organizing a half-day symposium at BCCE focusing on how programming is taught within the chemistry curriculum, by chemists at all levels of higher education. Abstract submission is open from January 10 to February 28, 2022 through MAPS. We welcome submissions that describe a particular activity that is used to teach programming to students or those that describe larger curricular innovations at the department or institutional level. Submissions should focus on teaching programming rather than using computational tools in the chemistry curriculum.
More information about BCCE can be found on the conference website. For questions about the MolSSI workshop or symposium, contact symposium organizers: Ashley Ringer McDonald (armcdona@calpoly.edu) or Jessica Nash (janash@vt.edu).
The MolSSI’s Software Workshop program is a community-driven effort in which researchers from academia, industry, and national labs propose timely and important topics focused on the software needs of the molecular sciences, and the MolSSI organizes or facilitates the event.
