From ac3ea0191ebac0462d474343a614e2dfe1288245 Mon Sep 17 00:00:00 2001 From: YB_HU <138468445+RussellHu41@users.noreply.github.com> Date: Fri, 19 Dec 2025 15:26:42 +0800 Subject: [PATCH] Create DPNEGF_vote.md MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit # A Vote for New Projects: DPNEGF ## Proposal DPNEGF is a Python package that integrates the Deep Learning Tight-Binding (DeePTB) approach with the Non-Equilibrium Green’s Function (NEGF) method, establishing an efficient quantum transport simulation framework DeePTB-NEGF with first-principles accuracy. By using DeePTB-SK or DeePTB-E3—both available within the DeePTB package—DeePTB-NEGF can compute quantum transport properties in open-boundary systems with either environment-corrected Slater-Koster TB Hamiltonian or linear combination of atomic orbitals (LCAO) Kohn-Sham Hamiltonian. For more information, see the paper [DeePTB-NEGF: arXiv:2411.08800v2](https://arxiv.org/abs/2411.08800v2) ## Deadline The vote will be open for at least 6 days unless there is an objection. ## Scope TOC MEMBERS. --- votes/DPNEGF_vote.md | 17 +++++++++++++++++ 1 file changed, 17 insertions(+) create mode 100644 votes/DPNEGF_vote.md diff --git a/votes/DPNEGF_vote.md b/votes/DPNEGF_vote.md new file mode 100644 index 0000000..3c28a73 --- /dev/null +++ b/votes/DPNEGF_vote.md @@ -0,0 +1,17 @@ +# A Vote for New Projects: DPNEGF + +## Proposal + +DPNEGF is a Python package that integrates the Deep Learning Tight-Binding (DeePTB) approach with the Non-Equilibrium Green’s Function (NEGF) method, establishing an efficient quantum transport simulation framework DeePTB-NEGF with first-principles accuracy. + +By using DeePTB-SK or DeePTB-E3—both available within the DeePTB package—DeePTB-NEGF can compute quantum transport properties in open-boundary systems with either environment-corrected Slater-Koster TB Hamiltonian or linear combination of atomic orbitals (LCAO) Kohn-Sham Hamiltonian. + +For more information, see the paper [DeePTB-NEGF: arXiv:2411.08800v2](https://arxiv.org/abs/2411.08800v2) + +## Deadline + +The vote will be open for at least 6 days unless there is an objection. + +## Scope + +TOC MEMBERS.