Computational chemistry
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- QUANTUM INFORMATION and COMPUTATION for CHEMISTRY 2016 Workshop Chairs Alán Aspuru-Guzik (Harvard University) Michael Wasielewski (Northwestern University)
- Computational Quantum Chemistry of Chemical Kinetic Modeling
- 15-251 Great Ideas in Theoretical Computer Science Lecture 1: Introduction to the Course
- Quantum Chemistry on Supercomputers
- Quantum Chemistry in the Age of Quantum Computing Arxiv:1812.09976V2 [Quant-Ph] 28 Dec 2018
- Developing a Computational Chemistry Framework for the Exascale Era
- Introduction to Computational Chemistry Laboratory
- Proquest Dissertations
- Theory and Applications of Computational Chemistry the First Forty Years
- Next-Generation Technologies in Computational Chemistry
- Brief History of Computational Chemistry: Three Distinct Eras and the Relative Importance of Theoretical Insights and Computing Power in Advancing the Field
- Reduction of the Molecular Hamiltonian Matrix Using Quantum Community Detection Susan M
- Using Computational Chemistry to Understand & Discover Chemical Reactions
- Computational Chemistry in the Cloud
- “Only the Initiates Will Have the Secrets Revealed”: Computational Chemists and the Openness of Scientific Software Abstract
- ACCDB: a Collection of Chemistry Databases for Broad Computational Purposes
- Computational Medicinal Chemistry: a Useful Tool for Pharmaceutical Sciences and Drug Development
- Structure and Ordering in Solvents and Solutions of Carbon Nanotubes