SUNDIALS is a SUite of Nonlinear and DIfferential/ALgebraic equation Solvers. It consists of the following six solvers: CVODE, solves initial value problems for ordinary differential equation (ODE) systems; CVODES, solves ODE systems and includes sensitivity analysis capabilities (forward and adjoint); ARKODE, solves initial value ODE problems with additive Runge-Kutta methods, include support for IMEX methods; IDA, solves initial value problems for differential-algebraic equation (DAE) systems; IDAS, solves DAE systems and includes sensitivity analysis capabilities (forward and adjoint); KINSOL, solves nonlinear algebraic systems.
Publications
Preprints
Park, G., Ng, N., Reichman, D. R., & Chan, G. K. (2024). Tensor network influence functionals in the continuous-time limit: connections to quantum embedding, bath discretization, and higher-order time propagation, arXiv preprint arXiv:2401.12460.
Künzel, F., Erpenbeck, A., Werner, D., Arrigoni, E., Gull, E., Cohen, G., & Eckstein, M. (2023). Numerically exact simulation of photo-doped Mott insulators, arXiv preprint arXiv:2311.13933.
Atanasova, H., Erpenbeck, A., Gull, E., Bar Lev, Y., & Cohen, G. (2023). Stark-Many body localization in interacting infinite dimensional systems. arXiv preprint arXiv:2311.08893.
Maliyov, I., Yin, J., Yao, J., Yang, C., & Bernardi, M. (2023). Dynamic mode decomposition of nonequilibrium electron-phonon dynamics: accelerating the first-principles real-time Boltzmann equation. arXiv preprint arXiv:2311.07520.
Kemper, A. F., Yang, C., & Gull, E. (2023). On the Positive Definiteness of Response Functions in the Time Domain. arXiv preprint arXiv:2309.02566.
Begušić, T., Hejazi, K., & Chan, G. K. (2023). Simulating quantum circuit expectation values by Clifford perturbation theory. arXiv preprint arXiv:2306.04797.
2024
Verma, A., Golež, D., Gorobtsov, O. Y., Kaj, K., Russell, R., Kaaret, J. Z., Lamb, E., Khalsa, G., Nair, H. P., Sun, Y., Bouck, R., Schreiber, N., Ruf, J. P., Ramaprasad, V., Kubota, Y., Togashi, T., Stoica, V. A., Padmanabhan, H., Freeland, J. W., Benedek, N. A., Shpyrko, O., Harter, J. W., Averitt, R. D., Schlom, D. G., Shen, K. M., Millis, A. J., & Singer, A. (2024). Picosecond volume expansion drives a later-time insulator-metal transition in a nano-textured Mott Insulator. Nat. Phys.
Begušić, T., Gray, J., & Chan, G. K. (2024). Fast and converged classical simulations of evidence for the utility of quantum computing before fault tolerance. Sci. Adv. 10, eadk4321.
2023
Erpenbeck, A., Gull, E., & Cohen, G. (2023). Shaping electronic flows with strongly correlated physics. Nano Lett. 23, 22, 10480.
Bernardi, M. (2023). Efficient Mean-Field Simulation of Quantum Circuits Inspired by the Many-Electron Problem. J. Chem. Theory Comput. 19, 22, 8066.
Mejía, L., Yin, J., Reichman, D. R., Baer, R., Yang, C., & Rabani, E. (2023). Stochastic Real-Time Second-Order Green’s Function Theory for Neutral Excitations in Molecules and Nanostructures.
J. Chem. Theory Comput. 19, 5563.
Erpenbeck, A., Lin, W.-T., Blommel, T., Zhang, L., Iskakov, S., Bernheimer, L., Núñez-Fernández, Y., Cohen, G. , Parcollet, O., Waintal, X., & Gull, E. (2023). Tensor Train Continuous Time Solver for Quantum Impurity Models. Phys. Rev. B 107, 245135.
Erpenbeck, A., Gull, E., & Cohen, G. (2023). Quantum Monte Carlo in the steady-state. Phys. Rev. Lett. 130, 186301.
Ng, N., Park, G., Millis, A. J., Chan, G. K.-L., & Reichman, D. R. (2023). Real-time evolution of Anderson impurity models via tensor network influence functionals. Phys. Rev. B 107, 125103.
Huang, Z., Gull, E., & Lin, L. (2023). Robust analytic continuation of Green's functions via projection, pole estimation, and semidefinite relaxation. Phys. Rev. B 107, 075151.
2022
Chen, H.-Y., Sangalli, D., & Bernardi, M. (2022). First-principles ultrafast exciton dynamics and time-domain spectroscopies: Dark-exciton mediated valley depolarization in monolayer WSe2. Phys. Rev. Research 4, 043203.
Dong, X., Gull, E., & Strand, H. U. R. (2022). Excitations and spectra from equilibrium real-time Green's functions. Phys. Rev. B 106, 125153.
Dou, W., Lee, J., Reichman, D. R., Baer, R., & Rabani, E. (2022). Time dependent second order Green's function theory for neutral excitations. J. Chem. Theory Comput. 18, 5221.
Pollock, F. A., Gull, E., Modi, K., & Cohen, G. (2022). Reduced Dynamics of Full Counting Statistics. SciPost Phys. 13, 027.
Luo, Y., Chang, B. K., & Bernardi, M. (2022). Comparison of the canonical transformation and energy functional formalisms for ab initio calculations of self-localized polarons. Phys. Rev. B 105, 155132.
Li, J., Yu, Y., Gull, E., & Cohen, G. (2022). Interaction expansion inchworm Monte Carlo solver for lattice and impurity models. Phys. Rev. B 105, 165133.