diff --git a/source/_sources/02Developers.rst b/source/_sources/02Developers.rst index 6fdb899..66ca534 100644 --- a/source/_sources/02Developers.rst +++ b/source/_sources/02Developers.rst @@ -28,7 +28,7 @@ Dr. Michele Casula :height: 150px + `Personal website `__ -+ **Sorbonne Universit´e, CNRS, France** ++ **Sorbonne Universite, CNRS, France** Dr. Kosuke Nakano ################################### @@ -37,8 +37,7 @@ Dr. Kosuke Nakano :height: 150px + `Personal website `__ -+ **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) ------------------------------------------- @@ -66,7 +65,6 @@ Dr. Andrea Tirelli .. figure:: /_static/01photos/at.jpg :height: 150px -+ `Personal website `__ + **International School for Advanced Studies (SISSA), Italy** Mr. Giacomo Tenti diff --git a/source/_sources/03Source_code.rst b/source/_sources/03Source_code.rst index 1ac2cab..90f5668 100644 --- a/source/_sources/03Source_code.rst +++ b/source/_sources/03Source_code.rst @@ -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 `_ - | 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 `_ + | K. Nakano, O. Kohulák, A. Raghav, M. Casula, and S. Sorella + | *J. Chem. Phys.* 159, 224801 (2023) TurboRVB ---------------------------------- @@ -29,7 +28,11 @@ TurboWorkflows ---------------------------------- **TurboWorkflows** is an open-source project. The source code is available from the `GitHub repository `__. -Tutorials +User Manuals +---------------------------------- +**TurboRVB** manual is available from the `GitHub Pages `__. + +User Tutorials ---------------------------------- Tutorials are available from the `GitHub Pages `__. diff --git a/source/_sources/04Publications.rst b/source/_sources/04Publications.rst index 5f64818..0a32df8 100644 --- a/source/_sources/04Publications.rst +++ b/source/_sources/04Publications.rst @@ -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) `_ + +.. 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) `_ + +.. 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) `_ 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) `_ .. 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) `_ .. 2023MON diff --git a/source/_sources/11Positions.rst b/source/_sources/11Positions.rst index 8bb7b14..30466c9 100644 --- a/source/_sources/11Positions.rst +++ b/source/_sources/11Positions.rst @@ -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]. diff --git a/source/index.rst b/source/index.rst index c39acfd..1398604 100644 --- a/source/index.rst +++ b/source/index.rst @@ -12,13 +12,17 @@ Welcome to our TurboRVB website News ######################## -- | TurboRVB is now an `open-source project `_! -- | A. Raghav et al. have published a paper in `J. Chem. Theory Comput. 19, 2222-2229 (2023) `_. -- | E. Posenitskiy et al. have published a paper in `J. Chem. Phys. 158, 174801 (2023) `_. -- | L. Monacelli et al. have published a paper in `Nat. Phys. 19, 845–850 (2023) `_. -- | A. Tirelli et al. have published a paper in `Phys. Rev. B, 106, L041105 (2022) `_. -- | K. Nakano et al. have published a paper in `J. Chem. Phys. 156, 034101 (2022) `_. -- | K. Nakano et al. have published a paper in `Phys. Rev. B 103, L121110 (2021) `_. + +- | 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) `_. +- | 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) `_. +- | 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) `_. +- | 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) `_. +- | TurboRVB is now an `open-source project `_! **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) `_. +- | L. Monacelli et al. have published a paper titled '*Quantum phase diagram of high-pressure hydrogen*' in `Nat. Phys. 19, 845–850 (2023) `_. +- | 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) `_. +- | 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) `_. +- | 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) `_. | This paper has been selected as an **Editors' Suggestion**. Features