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Eva Zurek, Discovering New Materials via A Priori Crystal Structure Prediction
Alberto Ambrosetti and Pier Luigi Silvestrelli, Introduction to Maximally Localized Wannier Functions
Zhanyong Guo and Dieter Cremer, Methods for Rapid and Automated Description of Proteins: Protein Structure, Protein Similarity, and Protein Folding
Volume 30 (2017)
Andreas Hermann, Chemical Bonding at High Pressure
Mitchell A. Wood, Mathew J. Chrukara, Edwin Antillon, and Alejandro Strachan, Molecular Dynamics Simulations of Shock Loading of Materials: A Review and Tutorial
Balazs Nagy and Frank Jensen, Basis Sets in Quantum Chemistry
Anna Krylov, The Quantum Chemistry of Open‐Shell Species
Raghunathan Ramakrishnan and O. Anatole von Lilienfeld, Machine Learning, Quantum Chemistry, and Chemical Space
Dmitri Makarov, The Master Equation Approach to Problems in Chemical and Biological Physics
Pere Alemany, David Casanova, Santiago Alvarez, Chaim Dryzun and David Avnir, Continuous Symmetry Measures: A New Tool in Quantum Chemistry
Volume 31 (2018)
Ulf D. Schiller and Olga Kuksenok, Lattice‐Boltzmann Modeling of Multicomponent Systems: An Introduction
David M Leitner and Takahisa Yamato, Mapping Energy Transport Networks in Proteins
Paul N. Patrone and Andrew Dienstfrey, Uncertainty Quantification for Molecular Dynamics
Horia Metiu, Vishal Agarwal, and Henrik H. Kristoffersen, The Role of Computations in Catalysis
Richard Dawes and Ernesto Quintas Sánchez, The Construction of Ab Initio Based Potential Energy Surfaces
Heather J. Kulik, Modeling Mechanochemistry from First Principles
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