Important Notice: Our web hosting provider recently started charging us for additional visits, which was unexpected. In response, we're seeking donations. Depending on the situation, we may explore different monetization options for our Community and Expert Contributors. It's crucial to provide more returns for their expertise and offer more Expert Validated Answers or AI Validated Answers. Learn more about our hosting issue here.

Why not include transferability in the judging criteria?

0
Posted

Why not include transferability in the judging criteria?

0

Transferable force fields are certainly highly desirable, including transferability between molecules, properties, and state conditions. For the current challenge, we chose to focus on the aspect that is most straightforward to accomplish and to judge, transferability among state conditions. By restricting what experimental data can be used as input to the force field parameterization process, we are able to include this aspect in the problems without including it explicitly in the judging (scoring) criteria. This was desirable in order to facilitate an unambiguous and straightforward process for scoring the entries. Future challenges will likely address transferability between molecules and/or between properties. It is also likely that they will be incorporated into the definition of the problems and their restrictions rather than including them explicitly in the judging (scoring) criteria.

Related Questions

What is your question?

*Sadly, we had to bring back ads too. Hopefully more targeted.

Experts123