Call for Papers: Advancing Environmental Research through Computational Modeling - ACS Axial | ACS Publications

Call for Papers: Advancing Environmental Research through Computational Modeling

How do we use computers to solve environmental engineering problems?

Research performed on computers can accelerate research performed in the laboratory and real-world settings. Now widely available and readily usable for (environmental) scientists and engineers, computational tools are varied in fundamental scale (i.e., electronic-scale studies with quantum mechanics versus atomistic-scale and continuum-scale studies with classical mechanics), in method (reaction path energy sampling, molecular dynamics, Monte Carlo, etc.), and in volume of generated and analyzable data (machine learning, data management).

However, these tools need to match the scale of the phenomena being studied in water, soil, or air (e.g., chemical adsorption, surface reaction, molecular transport) to derive useful results within a reasonable amount of compute time.

This new Special Issue from ACS ES&T Engineering considers how computational tools contribute new knowledge and potential solutions to environmental engineering problems. It seeks examples of integrated computational and experimental research; and computational-derived insights that motivate future experimentation. The Special Issue will highlight computational technology (akin to nanotechnology and biotechnology) as an important enabler for the advancement of engineered systems towards broad-scale use in practice.

View Submission Guidelines

Submit Your Manuscript


  • Professor Michael S. Wong, Rice University, United States


  • Professor Wen Liu, Peking University, China
  • Assistant Professor Thomas P. Senftle, Rice University, United States


  • May 30, 2023


To submit your manuscript, please visit the ACS ES&T Engineering website. Please follow the normal procedures for manuscript submission and when in the ACS Paragon Plus submission site, select the Special Issue of “Advancing Environmental Research through Computational Modeling.” All manuscripts will undergo rigorous peer review. For additional submission instructions, please see the ACS ES&T Engineering Author Guidelines.

Submit your manuscript by May 30, 2023.



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