# Probabilistic algorithms

Linear Weak Scalability of Density Functional Theory Calculations without Imposing Electron Localization. J. Chem. Theory Comput. 2022, acs.jctc.1c00829. Publisher's VersionAbstract

Stochastic Vector Techniques in Ground-State Electronic Structure. Annu. Rev. Phys. Chem. 2022, 73, annurev–physchem–090519–045916. Publisher's VersionAbstract

Forces from Stochastic Density Functional Theory under Nonorthogonal Atom-Centered Basis Sets. J. Chem. Theory Comput. 2022, 18, 1458–1466. Publisher's VersionAbstract

Tempering stochastic density functional theory. J. Chem. Phys. 2021, 5.0063266. Publisher's VersionAbstract nguyen2021temperin.pdf

Stochastic density functional theory: Real- and energy-space fragmentation for noise reduction. J. Chem. Phys. 2021, 154, 204108. Publisher's VersionAbstract chen2021stochastic.pdf

Dopant levels in large nanocrystals using stochastic optimally tuned range-separated hybrid density functional theory. Physical Review B 2020, 102, 035112. Publisher's Version lee2020dopant.pdf

Linear-Response Time-Dependent Density Functional Theory with Stochastic Range-Separated Hybrids. Journal of Chemical Theory and Computation 2020, 16, 1064–1072. Publisher's VersionAbstract zhang2020linear.pdf

Range-separated stochastic resolution of identity: Formulation and application to second-order Green’s function theory. The Journal of Chemical Physics 2020, 153, 074113. Publisher's VersionAbstract dou2020range.pdf

Efficient Langevin dynamics for "noisy" forces. J. Chem. Phys. 2020, 152, 161103. Publisher's VersionAbstract arnon2020efficient.pdf

Energy window stochastic density functional theory. The Journal of Chemical Physics 2019, 151, 114116. Publisher's Version chen2019energy.pdf

Stochastic Resolution of Identity for Real-Time Second-Order Green’s Function: Ionization Potential and Quasi-Particle Spectrum. Journal of Chemical Theory and Computation 2019. Publisher's VersionAbstract dou2019stochastic.pdf

Transition to metallization in warm dense helium-hydrogen mixtures using stochastic density functional theory within the Kubo-Greenwood formalism. Physical Review B 2019, 100. Publisher's VersionAbstract cytter2019transition.pdf

Quantum Monte Carlo assessment of density functionals for π-electron molecules: ethylene and bifuran. Molecular Physics 2019, 117, 2241–2250. Publisher's VersionAbstract ospadov2019quantum.pdf

Stochastic embedding DFT: Theory and application to p-nitroaniline in water. 2019, 151, 174115. Publisher's VersionAbstract li2019stochastic.pdf

Nonmonotonic band gap evolution in bent phosphorene nanosheets. Phys. Rev. Materials 2019, 3 064601. Publisher's VersionAbstract vlcek_et_al._-_2019_-_nonmonotonic_band_gap_evolution_in_bent_phosphoren.pdf

Stochastic density functional theory. Wiley Interdisciplinary Reviews: Computational Molecular Science 2019, 10.1002/wcms.1412, e1412. Publisher's VersionAbstract fabian2019stochastic.pdf

Overlapped embedded fragment stochastic density functional theory for covalently-bonded materials. J. Chem. Phys. 2019, 150, 034106. Publisher's VersionAbstract chen2018overlapped.pdf

Simple eigenvalue-self-consistent ΔGW0. J. Chem. Phys. 2018, 149, 174107. Publisher's Version vlcek2018simple.pdf

Swift G W beyond 10,000 electrons using sparse stochastic compression. Phys. Rev. B 2018, 98, 075107. Publisher's Version vlcek_et_al._-_2018_-_swift_g_w_beyond_10000_electrons_using_sparse_sto.pdf

First-principles spectra of Au nanoparticles: from quantum to classical absorption. Molecular Physics 2018, 116, 2506–2511. Publisher's VersionAbstract hernandez2018first.pdf