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Volume 19Issue 22

November 28, 2023

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Call for Nominations

Make a nomination for Journal of Chemical Theory and Computation's Early Career Board. Review eligibility criteria and submit your nomination by October 31, 2023.

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Call for Papers

First-Principles Simulations of Molecular Optoelectronic Materials

This Virtual Special Issue is open for submissions on recent progress in using theory and computation to understand the elementary events in molecular optoelectronic materials and various types of hybrid materials. Submit your manuscript by April 1, 2024.

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Machine Learning & Statistical Mechanics

This Virtual Special Issue will delve into the convergence of machine learning and statistical mechanics to reshape chemical theory and computation. Submit your manuscript by April 1, 2024.

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Special Issue: Machine Learning for Molecular Simulation

This Special Issue brings together a group of experts at the frontiers of molecular simulation to explore and demonstrate how machine learning is advancing chemical theory and science. Browse the Issue today.

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Cancer remains a leading cause of death in many countries despite decades of research and innovative drug development. This virtual issue captures 2022 insights into cancer biology and carcinogens, new inhibitors and treatment modalities, diagnosis and delivery strategies, and more.

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Journal of Chemical Theory and Computation has been certified as a transformative journal by cOAlition S, committing to a transition to 100% open access in the future. If your research funder has signed Plan S, your open access charges may be covered by your funder through December 31, 2024. Please visit the ACS Open Science website for more information.

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