lin-lin / 2018Fall_275
Mathematical Introduction to Electronic Structure Theory
☆40Updated 5 years ago
Related projects ⓘ
Alternatives and complementary repositories for 2018Fall_275
- 290 seminar for 2020 fall - 2021 summer☆23Updated this week
- ☆21Updated 2 weeks ago
- Tutorials for the paper: "Neural network in quantum many-body physics: a hands-on tutorial"☆50Updated 2 years ago
- Pytorch Implementation of Real Space Quantum Monte Carlo Simulations of Molecular Systems☆23Updated 9 months ago
- Exploring the computational power of fermionic quantum systems. Ab initio computation and basis set optimization for electronic structure…☆31Updated 5 months ago
- This is the repository for the CRC 183 summer school "Machine Learning in Condensed Matter Physics".☆28Updated 3 years ago
- Monte Carlo simulation on 2D XY-model☆25Updated 5 years ago
- A library combining solid quantum Monte Carlo and neural network.☆33Updated 5 months ago
- ESI-DCAFM-TACO-VDSP Summer School on "Machine Learning for Materials Hard and Soft"☆34Updated 2 years ago
- ipie stands for Intelligent Python-based Imaginary-time Evolution with a focus on simplicity and speed.☆53Updated this week
- Flexible, general-purpose VMC framework, built on JAX.☆24Updated 5 months ago
- GradDFT is a JAX-based library enabling the differentiable design and experimentation of exchange-correlation functionals using machine l…☆76Updated 8 months ago
- Arbitrary order exchange-correlation functional derivatives using JAX.☆21Updated 4 years ago
- pyblock3: an efficient python block-sparse tensor library☆21Updated 5 months ago
- Worm Algorithm for Bose-Hubbard and XXZ models☆23Updated last year
- Generate 1- and 2-electron integrals so that molecular quantum chemistry software can be used for model Hamiltonians.☆27Updated last week
- A fully autodifferentiable and variational HF☆41Updated 4 years ago
- GPS plugin for NetKet (www.netket.org), introducing new models, optimizers and Fermionic functionality.☆15Updated 2 weeks ago
- Course AMAT5315: Advanced scientific computing, the website and Julia notebooks☆36Updated 10 months ago
- A method which combines quantum many-body calculation and unbiased optimizers to automatically learn effective Hamiltonians for quantum m…☆24Updated 2 years ago
- Files for QMC Workshop 2021☆54Updated 2 years ago
- DMFT with CTQMC. The Dynamical Mean Field Theory (DMFT) with the continuous-time auxiliary-field Quantum Monte Carlo method with Julia 1.…☆20Updated 6 years ago
- A package to simplify working with symmetry-adapted quantum many-body bases. Provides a good foundation for writing custom exact diagonal…☆29Updated this week
- PySCF with auto-differentiation☆66Updated last week
- QMCPACK Users Workshop 2019☆13Updated 5 years ago
- Impementation of Variational Monte Carlo (VMC) for quantum many-body dynamics using JAX.☆57Updated last month
- Supporting code for "Autoregressive neural-network wavefunctions for ab initio quantum chemistry".☆36Updated 2 years ago
- ☆49Updated last month
- Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids☆33Updated last year
- An MPO-based DMRG code for Quantum Chemistry☆12Updated 6 years ago