Reviews in Computational Chemistry, Volume 32

Volume 18 (2002)

Geoff M. Downsand John M. Barnard, Clustering Methods and Their Uses in Computational Chemistry.

Hans‐Joachim Böhmand Martin Stahl, The Use of Scoring Functions in Drug Discovery Applications.

Steven W. Rickand Steven J. Stuart, Potentials and Algorithms for Incorporating Polarizability in Computer Simulations.

Dmitry V. Matyushovand Gregory A. Voth, New Developments in the Theoretical Description of Charge‐Transfer Reactions in Condensed Phases.

George R. Faminiand Leland Y. Wilson, Linear Free Energy Relationships Using Quantum Mechanical Descriptors.

Sigrid D. Peyerimhoff, The Development of Computational Chemistry in Germany.

Donald B. Boydand Kenny B. Lipkowitz, Appendix: Examination of the Employment Environment for Computational Chemistry.

Volume 19 (2003)

Robert Q. Topper, David, L. Freeman, Denise Berginand Keirnan R. LaMarche,Computational Techniques and Strategies for Monte Carlo Thermodynamic Calculations, with Applications to Nanoclusters.

David E. Smithand Anthony D. J. Haymet, Computing Hydrophobicity.

Lipeng Sunand William L. Hase, Born‐Oppenheimer Direct Dynamics Classical Trajectory Simulations.

Gene Lamm, The Poisson‐Boltzmann Equation.

Volume 20 (2004)

Sason Shaikand Philippe C. Hiberty, Valence Bond Theory: Its History, Fundamentals and Applications. A Primer.

Nikita Matsunagaand Shiro Koseki, Modeling of Spin Forbidden Reactions.

Stefan Grimme, Calculation of the Electronic Spectra of Large Molecules.

Raymond Kapral, Simulating Chemical Waves and Patterns.

Costel Sârbuand Horia Pop, Fuzzy Soft‐Computing Methods and Their Applications in Chemistry.

Sean Ekinsand Peter Swaan, Development of Computational Models for Enzymes, Transporters, Channels and Receptors Relevant to ADME/Tox.

Volume 21 (2005)

Roberto Dovesi, Bartolomeo Civalleri, Roberto Orlando, Carla Roettiand Victor R. Saunders, Ab Initio Quantum Simulation in Solid State Chemistry.

Patrick Bultinck, Xavier Gironésand Ramon Carbó‐Dorca, Molecular Quantum Similarity: Theory and Applications.

Jean‐Loup Faulon, Donald P. Visco, Jr.and Diana Roe,Enumerating Molecules.

David J. Livingstoneand David W. Salt,Variable Selection‐ Spoilt for Choice.

Nathan A. Baker, Biomolecular Applications of Poisson‐Boltzmann Methods.

Baltazar Aguda, Georghe Craciunand Rengul Cetin‐Atalay, Data Sources and Computational Approaches for Generating Models of Gene Regulatory Networks.

Volume 22 (2006)

Patrice Koehl,Protein Structure Classification.

Emilio Esposito, Dror Tobiand Jeffry Madura, Comparative Protein Modeling.

Joan‐Emma Shea, Miriam Friedel,and Andrij Baumketner, Simulations of Protein Folding.

Marco Saraniti, Shela Aboud,and Robert Eisenberg, The Simulation of Ionic Charge Transport in Biological Ion Channels: An Introduction to Numerical Methods.

C. Matthew Sundling, Nagamani Sukumar, Hongmei Zhang, Curt Breneman,and Mark Embrechts, Wavelets in Chemistry and Chemoinformatics.

Volume 23 (2007)

Christian Ochsenfeld, Jörg Kussmann,and Daniel Lambrecht, Linear Scaling in Quantum Chemistry.

Spiridoula Matsika, Conical Intersections in Molecular Systems.

Antonio Fernandez‐Ramos, Benjamin Ellingson, Bruce Garrett,and Donald Truhlar, Variational Transition State Theory with Multidimensional Tunneling.

Roland Faller, Coarse Grain Modeling of Polymers.

Jeffrey Goddenand Jürgen Bajorath,Analysis of Chemical Information Content using Shannon Entropy.

Ovidiu Ivanciuc, Applications of Support Vector Machines in Chemistry.

Donald Boyd, How Computational Chemistry Became Important in the Pharmaceutical Industry.

Volume 24 (2007)

Martin Schoen,and Sabine H. L. Klapp,Nanoconfined Fluids. Soft Matter Between Two and Three Dimensions.

Volume 25 (2007)

Wolfgang Paul,Determining the Glass Transition in Polymer Melts.

Nicholas J. Moseyand Martin H. Müser,Atomistic Modeling of Friction.

Jeetain Mittal, William P. Krekelberg, Jeffrey R. Errington,and Thomas M. Truskett,Computing Free Volume, Structured Order, and Entropy of Liquids and Glasses.

Laurence E. Fried,The Reactivity of Energetic Materials at Extreme Conditions.

Julio A. Alonso,Magnetic Properties of Atomic Clusters of the Transition Elements.

Laura Gagliardi,Transition Metal‐ and Actinide‐Containing Systems Studied with Multiconfigurational Quantum Chemical Methods.

Hua Guo,Recursive Solutions to Large Eigenproblems in Molecular Spectroscopy and Reaction Dynamics.

Hugh Cartwright,Development and Uses of Artificial Intelligence in Chemistry.

Volume 26 (2009)

C. David Sherrill,Computations of Noncovalent π Interactions.

Gregory S. Tschumper,Reliable Electronic Structure Computations for Weak Noncovalent Interactions in Clusters.

Peter Elliott, Filip Furcheand Kieron Burke,Excited States from Time‐Dependent Density Functional Theory.

Thomas Vojta,Computing Quantum Phase Transitions.

Thomas L. Beck,Real‐Space Multigrid Methods in Computational Chemistry.

Francesca Tavazza, Lyle E. Levineand Anne M. Chaka,Hybrid Methods for Atomic‐Level Simulations Spanning Multi‐Length Scales in the Solid State.

Alfredo E. Cárdenasand Eric Bath,Extending the Time Scale in Atomically Detailed Simulations.

Edward J. Maginn,Atomistic Simulation of Ionic Liquids.

Volume 27 (2011)

Stefano Giordano, Allessandro Mattoni, Luciano Colombo,Brittle Fracture: From Elasticity Theory to Atomistic Simulations.

Igor V. Pivkin, Bruce Caswell, George Em Karniadakis,Dissipative Particle Dynamics.

Peter G. Bolhuis and Christoph Dellago,Trajectory‐Based Rare Event Simulation.

Douglas L. Irving,Understanding Metal/Metal Electrical Contact Conductance from the Atomic to Continuum Scales.

Max L. Berkowitz and James Kindt,Molecular Detailed Simulations of Lipid Bilayers.

Sophya Garaschuk, Vitaly Rassolov, Oleg Prezhdo,Semiclassical Bohmian Dynamics.

Donald B. Boyd,Employment Opportunities in Computational Chemistry.

Kenny B. Lipkowitz,Appendix: List of Computational Molecular Scientists