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Recent changes to our submission system, including a better integration with the Code Ocean platform, make the code peer review process more effortless for authors and referees.
Nonadiabatic molecular dynamics is the method of choice for modeling a wide range of excited-state phenomena. Although much progress has been made in improving the usability and efficiency of ground-state calculations, there are still challenges in translating this advance to the excited state.
Dr Martin Head-Gordon, Distinguished Professor of Chemistry at the University of California, Berkeley, talks with Nature Computational Science about his research on electronic structure theory, quantum chemistry software development, applications in renewable energy, as well as his time working with John Pople, who was recognized by the 1998 Nobel Prize in Chemistry.
Dr Saul Perlmutter, a professor of physics at the University of California, Berkeley, a senior scientist at Lawrence Berkeley National Laboratory (LBNL), and a 2011 Nobel laureate in physics, discusses the discovery of the accelerating expansion of the Universe and the essential role of computing in this field of research.
Dr Lu Sham, Distinguished Professor Emeritus of Physics at the University of California, San Diego, talks with Nature Computational Science about his current research, the density functional theory (DFT) work that was recognized by the 1998 Nobel Prize in Chemistry — awarded to his co-author Dr Walter Kohn — and where he thinks the field is heading.