EAR-Climate: An Open-Source Facility for Water-Organic-Rock-Microbe (WORM) Reaction Modeling

计算机模型被广泛用于揭示水成分变化的潜在原因，土壤如何发展，有毒化合物如何在环境中传播，微生物如何获得能源供应和营养物质，以及主要地质过程如何导致矿床，石油储层，火山和自然灾害的形成。通常，访问这样的模型需要高级培训、大量的时间承诺和专有软件。水-有机物-岩石-微生物（WORM）计算生态系统通过一个开源的在线平台提供这些计算，该平台内置软件工具和交互式演示，任何人都可以通过互联网浏览器访问。自2020年初服务器上线以来，学生、教师、研究人员和公众一直在积极学习并在WORM门户网站上进行地球化学计算。作为一种设施，WORM门户将扩大其各种应用和用户基础。该项目将创建新的计算模块，扩大整个地球科学界的参与，包括代表性不足的群体和学生，并为提供WORM计算工具提供多种新格式。该项目将扩展WORM建模工具，包括风化和蚀变过程中的传质，以及支持自然流体和实验介质中微生物的化学电源。此外，新的补充模块将增强现有的热力学数据回归和估计模块。我们将透过线上工作坊、原住民视角的教程、课堂学生计画，以及介绍与进阶影片，扩大参与。除了维持目前的WORM门户和建立基于云计算的对应门户外，访问将多样化，通过一个可在internet联系之外操作的便携式、容器化的WORM版本。本项目由地球信息学项目、仪器与设施项目和地球生物学与低温地球化学项目共同资助。地球科学理事会和先进网络基础设施办公室之间的合作，以支持地球科学领域的人工智能/机器学习和开放科学活动。该奖项反映了美国国家科学基金会的法定使命，并通过使用基金会的知识价值和更广泛的影响审查标准进行评估，被认为值得支持。

Computer models are widely used to reveal underlying reasons for why water compositions change, how soils develop, how toxic compounds spread through the environment, how microorganisms access energy supplies and nutrients, and how major geologic processes lead to the formation of ore deposits, petroleum reservoirs, volcanoes, and natural disasters. All too often access to such models requires advanced training, major commitments of time, and proprietary software. The Water-Organic-Rock-Microbe (WORM) computational ecosystem provides access to these calculations through an open-source, online platform with built-in software tools and interactive demonstrations accessible to anyone through an internet browser. Students, teachers, researchers, and members of the general public have been actively learning about and performing geochemical calculations on the WORM Portal since the server went live in early 2020. As a facility the WORM Portal will broaden its variety of applications and its user base.This project will create new computational modules, expand engagement throughout the Earth Science community including underrepresented groups and students, and provide multiple new formats for delivering WORM computational tools. This project will extend WORM modeling tools to include mass transfer during weathering and alteration, and chemical power supplies that support microbes in natural fluids and experimental media. In addition, new complementary modules will enhance existing thermodynamic data regression and estimation modules. Engagement will expand through online workshops, tutorials developed from Indigenous perspectives, and in-class student projects, as well as introductory and advanced videos. In addition to maintaining the current WORM Portal and establishing its cloud-based counterpart, access will be diversified though a portable, containerized version of WORM operable out of internet contact.This project is co-funded with contributions from the Geoinformatics Program, the Instrumentation & Facilities Program, and the Geobiology & Low-Temperature Geochemistry Program; and a collaboration between the Directorate for Geosciences and Office of Advanced Cyberinfrastructure to support AI/ML and open science activities in the geosciences.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.