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Introducing JCTC's inaugural Early Career Board
Selected from an outstanding pool of nominees, the Early Career Board features 18 young researchers from across the globe who represent the breadth of chemical theory and computation. Learn more in these exclusive interviews.
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100 Years of Quantum Mechanics—All About Molecules
This Special Issue welcomes contemporary research that showcases how the original themes of molecular quantum mechanics have evolved over the past century or have been superseded by refined theoretical approaches. Submit your manuscript by April 30, 2026.
Call For Papers
Modeling the Impact of Protein Mutations on Chemical Reactions for Biochemistry, Protein Engineering, and Drug Discovery
This Special Issue will highlight advances in computational methods that evaluate, understand, and predict how protein mutations shape chemical reactions across the molecular life sciences. Submit your manuscript by June 1, 2026.
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100 Years of Quantum Mechanics - All About Molecules
2025 marks the centennial anniversary of quantum mechanics, one of the most transformative developments in modern science.
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Machine Learning and Statistical Mechanics: Shared Synergies for Next Generation of Chemical Theory and Computation
This Special Issue highlights work that explores how ideas from statistical mechanics inspire machine learning architectures and strategies—and vice versa.
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Markov State Modeling of Conformational Dynamics
Advances in Markov state models, machine learning, and theory enabling robust analysis of complex conformational dynamics across chemistry and biology.
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