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@TRIQS @flatironinstitute

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Wentzell/README.md

Nils Wentzell

I am a Research Scientist at the Center for Computational Quantum Physics (CCQ), part of the Flatiron Institute. I write software libraries for scientific computing in modern C++ and Python, pairing intuitive, composable APIs with high performance. The heart of my work is TRIQS, an open-source software stack I lead, used by research groups around the world to study interacting quantum systems. Thanks to its C++ and Python libraries, the TRIQS team and its community have developed and implemented a variety of quantum many-body algorithms, ranging from quantum impurity solvers to embedding schemes for interacting lattice models.

Selected Software

  • TRIQS — the central framework and namesake of the stack, providing the building blocks, from Green functions to Monte Carlo tools; the stack's 30+ repositories include 25+ domain applications, where our stack meets everyday research. Its founding papers have collected 900+ citations, and its annual community meetings bring together over a hundred participants, in person and remotely.
  • nda — the C++23 N-dimensional array library I lead; an essential building block of TRIQS, used well beyond it at the Flatiron Institute. It offers lazy expressions, lightweight views, and HDF5, MPI, and BLAS/LAPACK support, with GPU acceleration via library backends to cuBLAS, cuSOLVER, cuTENSOR, and MAGMA.
  • Core libraries & tools — underneath the stack sit h5, mpi, and itertools, compact C++ libraries covering HDF5 file I/O, MPI communication, and range utilities; each carries no dependency on TRIQS and can be used on its own. The C++/Python bindings come from clair and c2py, developed with colleagues as the successor to cpp2py; TRIQS 4.0 ported the entire ecosystem to them.

On the research side, I work on quantum embedding methods, quantum impurity solvers, and vertex functions for strongly correlated materials. I joined the TRIQS core team at CEA Saclay in 2016, and started my role at the Flatiron Institute two years later. Before that I obtained my M.Sc. in physics at RWTH Aachen University and my Ph.D. from the University of Tübingen.

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  1. TRIQS/triqs TRIQS/triqs Public

    A Toolbox for Research on Interacting Quantum Systems. Supported by the Flatiron Institute.

    C++ 182 88

  2. TRIQS/nda TRIQS/nda Public

    C++ library for multi-dimensional arrays. Supported by the Flatiron Institute.

    C++ 24 20

  3. flatironinstitute/clair flatironinstitute/clair Public

    Clair (Clang Introspection and Reflection) tools. A set of clang tools developed for Flatiron/CCQ

    C++ 20 3

  4. TRIQS/ctint TRIQS/ctint Public

    Continuous-time interaction expansion quantum Monte-Carlo code based on TRIQS. Supported by the Flatiron Institute.

    C++ 8 3

  5. TRIQS/h5 TRIQS/h5 Public

    A high-level C++ interface to the hdf5 library. Supported by the Flatiron Institute.

    C++ 6 8

  6. TRIQS/mpi TRIQS/mpi Public

    A high-level C++ interface to the Message Passing Interface. Supported by the Flatiron Institute.

    C++ 5 7