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About the authors

Radovan Bast works at the High Performance Computing Group at UiT - The Arctic University of Norway in Troms? and leads the CodeRefinery project. He has a PhD in theoretical chemistry and contributes to a number of quantum chemistry programs as a code developer. He enjoys learning new programming languages and techniques, and teaching programming to students and researchers. He got in touch with CMake in 2008 and has ported a number of research codes and migrated a number of communities to CMake since then.

Roberto Di Remigio is a postdoctoral fellow in theoretical chemistry at UiT - The Arctic University of Norway in Troms?, Norway and Virginia Tech, USA. He is currently working on stochastic methods and solvation models. He is a developer of the PCMSolver library and the Psi4 open source quantum chemistry program. He contributes or has contributed to the development of popular quantum chemistry codes and libraries: DIRAC, MRCPP, DALTON, LSDALTON, XCFun, and ReSpect. He usually programs in C++ and Fortran.

We would like to acknowledge the very valuable comments and suggestions from the reviewers, Eric Noulard and Shlomi Fish. In particular, Eric's feedback and input has improved the quality of the chapters significantly. We also thank Lori A. Burns for her comments and suggestions for chapters 8 through 11. Special thanks to the Troms? Public Library for providing a wonderful space for writing and thinking. We are very grateful for the testing infrastructure and support provided by Travis CI, GmbH, Appveyor Systems Inc., and Circle Internet Services, Inc. – it is thanks to these infrastructure services that we can be confident that the examples work across the major operating systems.

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