Jana Shen received the Diploma degree in chemistry from Bergische Universität Wuppertal, Wuppertal, Germany, in 1995, the master’s degree in theoretical chemistry from the University of Calgary, Calgary, AB, Canada, and the Ph.D. degree in physical chemistry from the University of Minnesota, Minneapolis, MN, USA, in 2003. For the postdoctoral training at the Scripps Research Institute, La Jolla, CA, USA, she co-developed the continuous constant pH molecular dynamics method. In 2007, she joined the Faculty of the Department of Chemistry and Biochemistry, The University of Oklahoma, Norman, OK, USA. In 2012, she moved to the School of Pharmacy, University of Maryland, as a tenured Associate Professor of pharmaceutical sciences. Her group develops and applies molecular simulation and data science tools for accelerating pharmaceutical and materials discovery. Dr. Shen was a recipient of the American Chemical Society Outstanding Junior Faculty Award in Computational Chemistry in 2010 and the CAREER Award from the National Science Foundation in 2011.