Skip to content

Commit

Permalink
Merge pull request #4 from sissaschool/devel
Browse files Browse the repository at this point in the history
Updating publication list and adding sponsors
  • Loading branch information
michele-casula authored Sep 3, 2024
2 parents 1d44f4e + 20cec35 commit 8c31041
Show file tree
Hide file tree
Showing 4 changed files with 29 additions and 6 deletions.
12 changes: 10 additions & 2 deletions source/_sources/04Publications.rst
Original file line number Diff line number Diff line change
Expand Up @@ -13,13 +13,17 @@ Publications
2024
####################

- | Principal deuterium Hugoniot via quantum Monte Carlo and :math:`\Delta` -learning
| G. Tenti, K. Nakano, A. Tirelli, S. Sorella, M. Casula
| `Phys. Rev. B 110, L041107 (2024) <\https://doi.org/10.1103/PhysRevB.110.L041107>`_
.. 2024NAK1
.. article
- | Beyond Single-Reference Fixed-Node Approximation in Ab Initio Diffusion Monte Carlo Using
| Antisymmetrized Geminal Power Applied to Systems with Hundreds of Electrons
| K. Nakano, S. Sorella, D. Alfè, and A. Zen
| `J. Chem. Theory Comput. in press (2024) <https://doi.org/10.1021/acs.jctc.4c00139>`_
| `J. Chem. Theory Comput. 20, 4591-4604 (2024) <https://doi.org/10.1021/acs.jctc.4c00139>`_
.. 2024NAK2
.. article
Expand All @@ -46,6 +50,10 @@ Publications
| K. Nakano, O. Kohulák, A. Raghav, M. Casula, and S. Sorella
| `J. Chem. Phys. 159, 224801 (2023) <https://doi.org/10.1063/5.0179003>`_
- | Thermal dependence of the hydrated proton and optimal proton transfer in the protonated water hexamer
| F. Mouhat, M. Peria, T. Morresi, R. Vuilleumier, A. M. Saitta, M. Casula
| `Nat. Comm. 14, 6930 (2023) <https://doi.org/10.1038/s41467-023-42366-4>`_
.. 2023RAG
.. article
Expand Down
Binary file added source/_static/07logo/HANAMI_logo.png
Loading
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
Binary file added source/_static/07logo/TREX_LOGO.png
Loading
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
23 changes: 19 additions & 4 deletions source/index.rst
Original file line number Diff line number Diff line change
Expand Up @@ -8,15 +8,17 @@ Welcome to our TurboRVB website

.. figure:: /_static/07logo/logo.png
:width: 800px

News
########################


- | K. Nakano, et al. have published a paper titled '*Beyond Single-Reference Fixed-Node Approximation in Ab Initio Diffusion Monte Carlo Using Antisymmetrized Geminal Power Applied to Systems with Hundreds of Electrons*' in `J. Chem. Theory Comput. in press (2024) <https://doi.org/10.1021/acs.jctc.4c00139>`_.
Most Recent Publications
########################

- | G. Tenti et al. have published a paper titled '*Principal deuterium Hugoniot via quantum Monte Carlo and* :math:`\Delta` *-learning*' in `Phys. Rev. B 110, L041107 (2024) <\https://doi.org/10.1103/PhysRevB.110.L041107>`_.
- | K. Nakano et al. have published a paper titled '*Beyond Single-Reference Fixed-Node Approximation in Ab Initio Diffusion Monte Carlo Using Antisymmetrized Geminal Power Applied to Systems with Hundreds of Electrons*' in `J. Chem. Theory Comput. 20, 4591-4604 (2024) <https://doi.org/10.1021/acs.jctc.4c00139>`_.
- | K. Nakano et al. have published a paper titled '*Efficient calculation of unbiased atomic forces in ab initio variational Monte Carlo*' in `Phys. Rev. B 109, 205151 (2024) <https://doi.org/10.1103/PhysRevB.109.205151>`_.
- | R. Taureau et al. have published a paper titled '*Quantum symmetrization transition in superconducting sulfur hydride from quantum Monte Carlo and path integral molecular dynamics*' in `Npj Comput. Mater. 10, 56 (2024) <https://doi.org/10.1038/s41524-024-01239-0>`_.
- | K. Nakano et al. have published a paper titled '*TurboGenius: Python suite for high-throughput calculations of ab initio quantum Monte Carlo methods*' in `J. Chem. Phys. 159, 224801 (2023) <https://doi.org/10.1063/5.0179003>`_.
- | F. Mouhat et al. have published a paper titled '*Thermal dependence of the hydrated proton and optimal proton transfer in the protonated water hexamer*' in `Nat. Comm. 14, 6930 (2023) <https://doi.org/10.1038/s41467-023-42366-4>`_.
- | TurboRVB is now an `open-source project <https://github.com/sissaschool/turborvb>`_! **ver.1.0.0** !!
- | A. Raghav et al. have published a paper titled '*Toward Chemical Accuracy Using the Jastrow Correlated Antisymmetrized Geminal Power Ansatz*' in `J. Chem. Theory Comput. 19, 2222-2229 (2023) <https://doi.org/10.1021/acs.jctc.2c01141>`_.
- | L. Monacelli et al. have published a paper titled '*Quantum phase diagram of high-pressure hydrogen*' in `Nat. Phys. 19, 845–850 (2023) <https://doi.org/10.1038/s41567-023-01960-5>`_.
Expand All @@ -43,6 +45,19 @@ TurboRVB is distinguishable from other QMC codes in the following features:

- The implementation of an adjoint algorithmic differentiation allows us to differentiate many-body wave functions efficiently and to perform structural optimizations and calculate molecular dynamics.

Sponsors
########################
TurboRVB is now supported by the `HANAMI consortium <https://hanami-project.com>`_.

.. figure:: /_static/07logo/HANAMI_logo.png
:width: 400px

TurboRVB project has been a flagship code of the `European TREX Center of Excellence <https://trex-coe.eu>`_.

.. figure:: /_static/07logo/TREX_LOGO.png
:width: 200px


.. toctree::
:maxdepth: 1
:caption: Contents:
Expand Down

0 comments on commit 8c31041

Please sign in to comment.