This Virtual Special Issue will highlight the latest in simulation software, techniques, and novel force field developments. Submit your manuscript by February 29, 2024.

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The Journal of Physical Chemistry A/B/C will publish a Virtual Special Issue (VSI) on “Recent Advances in Simulation Software and Force Fields” led by Senior Editor Prof. Christophe Chipot (Université de Lorraine). We encourage researchers to submit their new and unpublished work by February 29, 2024.

Simulation software plays a crucial role in understanding and predicting the behavior of complex systems across different scientific domains, such as materials science, chemistry, physics, and biology. This VSI will highlight the latest developments in simulation techniques, including algorithms, methodologies, and computational approaches to allow more reliable and efficient simulations to be performed. Force fields are key to achieving this goal. Developing accurate and robust force fields is essential for obtaining realistic results.

The VSI will also provide a platform for scientists to report novel force field developments, parameterization and validation techniques, benchmark datasets, and improvements in accuracy, leading to better simulation outcomes.

The field of simulation software and force fields is continually evolving, and there are ongoing challenges and limitations that need to be addressed. This VSI will offer a forum to discuss future directions, emerging trends, and unresolved issues, fostering collaborative efforts towards more accurate, efficient, and robust simulation tools and methodologies.

This VSI will span the three Journal parts:

  • JPC A: Molecules, Clusters, and Aerosols; New Tools and Methods in Experiment and Theory
  • JPC B: Biophysics, Biomaterials, Liquids, and Soft Matter
  • JPC C: Energy, Materials, and Catalysis

Submission Instructions

The review process for submissions for this VSI will be primarily handled by Prof. Chipot. To ensure an unbiased peer-review process, the journal asks that you do not indicate within your manuscript that the submission is intended for the VSI. If you do, your manuscript will be returned for correction. Instead, when you submit your manuscript, please indicate this in your cover letter and note what part and section you feel will be the best fit. You can find a complete list of sections and other important information for authors in the JPC Author Guidelines.

As with all submissions to JPC, your manuscript should represent a rigorous scientific report of original research, as it will be peer-reviewed as a regular article. Manuscripts are expected to provide new physical insight and/or present new theoretical or computational methods of broad interest.

Contributing to this Virtual Special Issue

If you are unsure if your research is within the scope of this VSI or have other questions about submitting a manuscript to this VSI, please email JPC B Deputy Editor Marty Zanni’s office at

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