Volume 28 (2015)
Giovanni Bussi and Davide Branduardi,Free‐energy Calculations with Metadynamics: Theory and Practice.
Yue Shi, Pengyu Ren, Michael Schnieders and Jean‐Philip Piquemal,Polarizable Force Fields for Biomolecular Modeling.
Clare‐Louise Towse and Valerie Daggett,Modeling Protein Folding Pathways.
Joël Janin, Shoshana J. Wodak, Marc F. Lensink and Sameer Velankar,Assessing Structural Predictions of Protein‐Protein Recognition: The CAPRI Experiment.
C. Heath Turner, Zhongtao Zhang, Lev D. Gelb and Brett I. Dunlap,Kinetic Monte Carlo Simulation of Electrochemical Systems.
Ilan Benjamin,Reactivity and Dynamics at Liquid Interfaces.
John S. Tse,Computational Techniques in the Study of the Properties of Clathrate Hydrates.
John M. Herbert, The Quantum Chemistry of Loosely Bound Electrons.
Volume 29 (2016)
Gino A. DiLabioand Alberto Otero‐de‐la‐Roza, Noncovalent Interactions in Density Functional Theory
Akbar Salam, Long‐Range Interparticle Interactions: Insights from Molecular Quantum Electrodynamic (QED) Theory
Joshua Potteland Nicolas Moitessier, Efficient Transition State Modeling Using Molecular Mechanics Force Fields for the Everyday Chemistry
Tim Mueller, Aaron Gilad Kusne, and Rampi Ramprasad, Machine Learning in Materials Science: Recent Progress and Emerging Applications
Eva Zurek, Discovering New Materials via A Priori Crystal Structure Prediction
Alberto Ambrosettiand Pier Luigi Silvestrelli, Introduction to Maximally Localized Wannier Functions
Zhanyong Guoand 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 Nagyand Frank Jensen, Basis Sets in Quantum Chemistry
Anna Krylov, The Quantum Chemistry of Open‐Shell Species
Raghunathan Ramakrishnanand 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 Dryzunand David Avnir, Continuous Symmetry Measures: A New Tool in Quantum Chemistry
Volume 31 (2018)
Ulf D. Schillerand Olga Kuksenok, Lattice‐Boltzmann Modeling of Multicomponent Systems: An Introduction
David M Leitnerand Takahisa Yamato, Mapping Energy Transport Networks in Proteins
Paul N. Patroneand Andrew Dienstfrey, Uncertainty Quantification for Molecular Dynamics
Horia Metiu, Vishal Agarwal, and Henrik H. Kristoffersen, The Role of Computations in Catalysis
Richard Dawesand Ernesto Quintas Sánchez, The Construction of Ab Initio Based Potential Energy Surfaces
Heather J. Kulik, Modeling Mechanochemistry from First Principles
Конец ознакомительного фрагмента.
Текст предоставлен ООО «ЛитРес».
Прочитайте эту книгу целиком, купив полную легальную версию на ЛитРес.
Безопасно оплатить книгу можно банковской картой Visa, MasterCard, Maestro, со счета мобильного телефона, с платежного терминала, в салоне МТС или Связной, через PayPal, WebMoney, Яндекс.Деньги, QIWI Кошелек, бонусными картами или другим удобным Вам способом.