Timotej Bernat: Bridging Chemistry, Software, and Open-Source Innovation
Timotej Bernat, currently a PhD student at the University of Colorado Boulder under the direction of Prof. Michael Shirts, first became intrigued by computational chemistry during his undergraduate studies. After being introduced to organic chemistry, he found himself fascinated by the intricate, interconnected nature of the field. Once beyond the outward-facing veil of difficulty of […]
MolSSI Career Panel
The MolSSI is excited to announce our first-ever Software Fellow Alumni Career Panel, featuring former fellows who now work in industry positions across computational molecular science. Panelists from Nurix Therapeutics, SandboxAQ, QSimulate, and Schrödinger will discuss their career paths after completing their fellowships and share practical insights about working in the field. This virtual event […]
Shuhang Li’s Journey Through Molecular Science: From Curiosity to Computation
The journey into molecular science for Shuhang Li, a current PhD candidate at Emory University, began in high school where he was inspired by two extraordinary teachers: Mrs. Geng, a Chemistry teacher, and Mr. Du, a Physics teacher. Mrs. Geng had a unique talent for transforming abstract chemical concepts into relatable stories that made molecular […]
Levi Petix: A Journey in Molecular Science and Computational Research
Levi Petix’s path to molecular science was not initially planned. When he began graduate school, he was open to exploring various research avenues within chemical engineering. However, during the first semester, faculty members presented their research to recruit new students, and it was during this time that Levi discovered his passion for molecular science. Prof. […]
Basics of Accelerated Computing with Intel OpenMP GPU Offload
The Molecular Sciences Software Institute (MolSSI) and Intel invite you to attend our hands-on Basics of Accelerated Computing with Intel OpenMP GPU Offload virtual workshop on Mar. 7, 2025 from 13:00 – 17:00 ET. The main focus of the course will be on the following topics: The following prerequisites are recommended but not mandatory for […]
Introduction to Intel® Tiber™ AI Cloud and oneAPI
The Molecular Sciences Software Institute (MolSSI) and Intel invite you to attend our hands-on Introduction to Intel® Tiber™ AI Cloud and oneAPI virtual workshop on Mar. 7, 2025 from 12:00 – 13:00 ET. The main focus of the course will be on the following topics: The following prerequisites are recommended but not mandatory for attending […]
Bridging Computer Science and Molecular Science: Caitlin Whitter’s Journey as a MolSSI Software Fellow
Caitlin Whitter didn’t take the traditional path into molecular science. As a Ph.D. student in computer science at Purdue University, she always knew she wanted to work on interdisciplinary research. Rather than sticking purely to computing, she was drawn to solving complex problems in the natural sciences. That curiosity led her to computational molecular science, […]
Join the ACT-CMS Community Workshop: Empower Your Teaching with Python Programming!
Dates: July 9-10, 2025 Location: Cal Poly San Luis Obispo, San Luis Obispo, CA Application: Apply Here (Deadline May 15, 2025) Who should attend the workshop? This workshop is designed for university faculty in the molecular sciences (chemistry, physics, molecular biology, materials science, and related disciplines) who want to learn Python programming and how to […]
Exciting Updates from ACT-CMS: Faculty Fellowship Applications and Upcoming Events
Accelerating Curricular Transformation in the Computational Molecular Sciences (ACT-CMS) is an education and faculty development program from MolSSI. The goal of ACT-CMS is to transform science curricula by accelerating the integration of programming and computation into existing molecular science courses through faculty training and the development of open and reusable curricular modules. If you’re passionate […]
MDAnalysis/MolSSI Workshop at Arizona State University
MDAnalysis, in conjunction with the Molecular Sciences Software Institute(MolSSI) and with the support of the Chan Zuckerberg Initiative, and the Center for Biological Physics, is holding a free, 2-day workshop on June 24th-25th, 2024 at Arizona State University in Tempe, Arizona, USA. This two-day workshop is designed to transform attendees from users to developers and will cover an introduction to MDAnalysis, software best practices, […]