Timur V. Tscherbul, 2, ∗ Gerrit C. Groenenboom, † Roman V. Krems, and Alex Dalgarno 2 Institute for Theoretical Atomic, Molecular, and Optical Physics, Harvard-Smithsonian Center for Astrophysics, Cambridge, Massachusetts, 02138, USA Harvard-MIT Center for Ultracold Atoms, Cambridge, Massachusetts 02138, USA Theoretical Chemistry, Institute for Molecules and Materials, Radboud University Nijmeg...

R. V. Krems,* A. Dalgarno, N. Balakrishnan, and G. C. Groenenboom Harvard-MIT Center for Ultracold Atoms and Institute for Theoretical Atomic and Molecular Physics, Harvard-Smithsonian Center for Astrophysics, Cambridge, Massachusetts 02138, USA Department of Chemistry, University of Nevada Las Vegas, 4505 Maryland Parkway, Las Vegas, Nevada 89154, USA Institute of Theoretical Chemistry, NSRIM,...

† Present address Y.R.B.: Department of Chemistry, Physical and Theoretical Chemistry Laboratory, South Parks Road, Oxford OX1 3QZ, U.K. ‡ Present address J.T.H.: Department of Chemistry, University of Leicester, Leicester LE1 7RH, U. K. ¶ Present address E.A.: Institute of Chemical Research of Catalonia (ICIQ), Barcelona Institute of Science and Technology, Av. Països Catalans 16, 43007, Tarra...

Lasse Jensen,*,† Kristian O. Sylvester-Hvid,‡ Kurt V. Mikkelsen,‡ and Per-Olof Åstrand§ Theoretical Chemistry, Materials Science Centre, RijksuniVersitet Groningen, Nijenborgh 4, 9747 AG Groningen, The Netherlands, Department of Chemistry, UniVersity of Copenhagen, UniVersitetsparken 5, DK-2100 Copenhagen Ø, Denmark, Department of Chemistry, Norwegian UniVersity of Science and Technology, N-749...

Ryan M. Harrison,1 Flavio Romano,1 Thomas E. Ouldridge,2, 3 Ard A. Louis,3 and Jonathan P. K. Doye1 1Physical & Theoretical Chemistry Laboratory, Department of Chemistry, University of Oxford, South Parks Road, Oxford OX1 3QZ, United Kingdom 2Department of Mathematics, Imperial College, 180 Queen’s Road, London SW7 2AZ, United Kingdom 3Rudolf Peierls Centre for Theoretical Physics, Department o...

Ryan M. Harrison,1 Flavio Romano,1 Thomas E. Ouldridge,2, 3 Ard A. Louis,2 and Jonathan P. K. Doye1 1Physical & Theoretical Chemistry Laboratory, Department of Chemistry, University of Oxford, South Parks Road, Oxford OX1 3QZ, United Kingdom 2Rudolf Peierls Centre for Theoretical Physics, Department of Physics, University of Oxford, 1 Keble Road, Oxford OX1 3NP, United Kingdom 3Department of Ma...

Chemistry possesses a distinctive theoretical lens—a distinctive set of theoretical concerns regarding the dynamics and transformations of a perplexing variety of organic and nonorganic substances—to which it must be faithful. Even if it is true that chemical facts bear a special (reductive) relationship to physical facts, nonetheless it will always still be true that the theoretical lenses of ...

1Department of Nanobiophotonics, Max Planck Institute for Biophysical Chemistry, Göttingen, Germany 2Department of Neurobiology, Max Planck Institute for Biophysical Chemistry, Göttingen, Germany 3Department of Tumor Immunology, Radboud University Nijmegen Medical Centre, Nijmegen, The Netherlands 4Faculty of Biology and Medicine, University of Lausanne, Lausanne, Switzerland 5Department of The...

The Extensible Computational Chemistry Environment (Ecce) is a suite of distributed applications that are integrated as a comprehensive problem solving environment for computational chemistry. Ecce provides scientists with an easily used graphical user interface to the tasks of setting up complex molecular modeling calculations, distributed use of high performance computers, and scientific visu...