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updated source code info and publications.
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kousuke-nakano committed May 31, 2024
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6 changes: 2 additions & 4 deletions source/_sources/02Developers.rst
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Expand Up @@ -28,7 +28,7 @@ Dr. Michele Casula
:height: 150px

+ `Personal website <http://www-ext.impmc.upmc.fr/~casula/>`__
+ **Sorbonne Universit´e, CNRS, France**
+ **Sorbonne Universite, CNRS, France**

Dr. Kosuke Nakano
###################################
Expand All @@ -37,8 +37,7 @@ Dr. Kosuke Nakano
:height: 150px

+ `Personal website <https://www.kosuke-nakano-research.info>`__
+ **International School for Advanced Studies (SISSA), Italy**
+ **Japan Advanced Institute of Science and Technology (JAIST), Japan**
+ **National Institute for Materials Science (NIMS), Japan**

Contributors (alphabetic order)
-------------------------------------------
Expand Down Expand Up @@ -66,7 +65,6 @@ Dr. Andrea Tirelli
.. figure:: /_static/01photos/at.jpg
:height: 150px

+ `Personal website <https://people.sissa.it/~atirelli/>`__
+ **International School for Advanced Studies (SISSA), Italy**

Mr. Giacomo Tenti
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15 changes: 9 additions & 6 deletions source/_sources/03Source_code.rst
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Expand Up @@ -9,13 +9,12 @@ Source codes
When you publish a paper using our code(s), please cite corresponding paper(s).

- | `TurboRVB: a many-body toolkit for ab initio electronic simulations by quantum Monte Carlo <https://doi.org/10.1063/5.0005037>`_
| K. Nakano*, C. Attaccalite, M. Barborini, L. Capriotti, M. Casula*, E. Coccia, M. Dagrada, Y. Luo, G. Mazzola, A. Zen, and S. Sorella*,
| K. Nakano, C. Attaccalite, M. Barborini, L. Capriotti, M. Casula, E. Coccia, M. Dagrada, Y. Luo, G. Mazzola, A. Zen, and S. Sorella,
| *J. Chem. Phys.* 152, 204121 (2020)
- | Turbo-Genius: A Python suite implementing workflows of the ab-initio quantum Monte Carlo calculations
| K. Nakano*, et al.
| *In preparation* (2023).
- | `TurboGenius: Python suite for high-throughput calculations of ab initio quantum Monte Carlo methods <https://doi.org/10.1063/5.0179003>`_
| K. Nakano, O. Kohulák, A. Raghav, M. Casula, and S. Sorella
| *J. Chem. Phys.* 159, 224801 (2023)
TurboRVB
----------------------------------
Expand All @@ -29,7 +28,11 @@ TurboWorkflows
----------------------------------
**TurboWorkflows** is an open-source project. The source code is available from the `GitHub repository <https://github.com/kousuke-nakano/turboworkflows>`__.

Tutorials
User Manuals
----------------------------------
**TurboRVB** manual is available from the `GitHub Pages <https://sissaschool.github.io/turborvb/>`__.

User Tutorials
----------------------------------
Tutorials are available from the `GitHub Pages <https://kousuke-nakano.github.io/turbotutorials/>`__.

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37 changes: 34 additions & 3 deletions source/_sources/04Publications.rst
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Expand Up @@ -9,17 +9,48 @@ Publications
.. figure:: /_static/07logo/logo_sub.png
:width: 500px

.. Preprint
.. ####################

2024
####################

.. 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>`_
.. 2024NAK2
.. article
- | Efficient calculation of unbiased atomic forces in ab initio variational Monte Carlo
| K. Nakano, M. Casula, and G. Tenti
| `Phys. Rev. B 109, 205151 (2024) <https://doi.org/10.1103/PhysRevB.109.205151>`_
.. 2024TAU
.. article
- | Quantum symmetrization transition in superconducting sulfur hydride from quantum Monte Carlo
| and path integral molecular dynamics
| R. Taureau, M. Cherubini, T. Morresi, and M. Casula
| `Npj Comput. Mater. 10, 56 (2024) <https://doi.org/10.1038/s41524-024-01239-0>`_
2023
####################

.. 2023NAK
.. article
- | TurboGenius: Python suite for high-throughput calculations of ab initio quantum Monte Carlo methods
| K. Nakano, O. Kohulák, A. Raghav, M. Casula, and S. Sorella
| `J. Chem. Phys. 159, 224801 (2023) <https://doi.org/10.1063/5.0179003>`_
.. 2023RAG
.. article
- | Toward Chemical Accuracy Using the Jastrow Correlated Antisymmetrized Geminal Power Ansatz,
| A. Raghav, R. Maezono, K. Hongo, S. Sorella, K. Nakano
| A. Raghav, R. Maezono, K. Hongo, S. Sorella, and K. Nakano
| `J. Chem. Theory Comput. 19, 2222-2229 (2023) <https://doi.org/10.1021/acs.jctc.2c01141>`_
.. 2023MON
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12 changes: 2 additions & 10 deletions source/_sources/11Positions.rst
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Expand Up @@ -11,22 +11,14 @@ Opening positions

.. _positions:

Postdoc position at SISSA
-----------------------------------------------------------------------------------
No opening position.


Postdoc position at CNRS
-----------------------------------------------------------------------------------
No opening position.
Please contact Michele Casula.


Postdoc position in TREX
-----------------------------------------------------------------------------------
No opening position.


Postdoc position at NIMS
-----------------------------------------------------------------------------------
No opening position.
Please contact Kosuke Nakano [NAKANO.Kosuke-at-nims.go.jp].

18 changes: 11 additions & 7 deletions source/index.rst
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Expand Up @@ -12,13 +12,17 @@ Welcome to our TurboRVB website
News
########################

- | TurboRVB is now an `open-source project <https://github.com/sissaschool/turborvb>`_!
- | A. Raghav et al. have published a paper in `J. Chem. Theory Comput. 19, 2222-2229 (2023) <https://doi.org/10.1021/acs.jctc.2c01141>`_.
- | E. Posenitskiy et al. have published a paper in `J. Chem. Phys. 158, 174801 (2023) <https://doi.org/10.1063/5.0148161>`_.
- | L. Monacelli et al. have published a paper in `Nat. Phys. 19, 845–850 (2023) <https://doi.org/10.1038/s41567-023-01960-5>`_.
- | A. Tirelli et al. have published a paper in `Phys. Rev. B, 106, L041105 (2022) <https://doi.org/10.1103/PhysRevB.103.L121110>`_.
- | K. Nakano et al. have published a paper in `J. Chem. Phys. 156, 034101 (2022) <https://doi.org/10.1063/5.0076302>`_.
- | K. Nakano et al. have published a paper in `Phys. Rev. B 103, L121110 (2021) <https://doi.org/10.1103/PhysRevB.103.L121110>`_.

- | 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>`_.
- | 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>`_.
- | 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>`_.
- | A. Tirelli et al. have published a paper titled '*High pressure hydrogen by machine learning and quantum Monte Carlo*' in `Phys. Rev. B, 106, L041105 (2022) <https://doi.org/10.1103/PhysRevB.106.L041105>`_.
- | K. Nakano et al. have published a paper titled '*Space-warp coordinate transformation for efficient ionic force calculations in quantum Monte Carlo*' in `J. Chem. Phys. 156, 034101 (2022) <https://doi.org/10.1063/5.0076302>`_.
- | K. Nakano et al. have published a paper titled '*Atomic forces by quantum Monte Carlo: Application to phonon dispersion calculations*' in `Phys. Rev. B 103, L121110 (2021) <https://doi.org/10.1103/PhysRevB.103.L121110>`_.
| This paper has been selected as an **Editors' Suggestion**.
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