The Journal of chemical physics

Keyphrases

Publications

volume 159, number 2, 2023

Denis G Artiukhin, Ian Heide Godtliebsen, Gunnar Schmitz, Ove Christiansen
Gaussian process regression adaptive density-guided approach: Toward calculations of potential energy surfaces for larger molecules. The Journal of chemical physics 159 (2) (2023)
Qiming Sun
Exact exchange with range-separated algorithm for thermodynamic limit of periodic Hartree-Fock theory. The Journal of chemical physics 159 (2) (2023)
Moritz Thürlemann, Sereina Riniker
Energy-based clustering: Fast and robust clustering of data with known likelihood functions. The Journal of chemical physics 159 (2) (2023)
Nicholas E Jackson, Joseph M Luther, Brett M Savoie, Kaifeng Wu
Photophysics in emerging photovoltaics. The Journal of chemical physics 159 (2) (2023)
Justinas Šlepavičius, Alessandro Patti, James L McDonagh, Carlos Avendaño
Application of machine-learning algorithms to predict the transport properties of Mie fluids. The Journal of chemical physics 159 (2) (2023)
Tahereh Izadkhast, Mojtaba Alipour
Dissecting the ingredients of optimally tuned range-separated hybrid models for reliable description of non-adiabatic couplings. The Journal of chemical physics 159 (2) (2023)
Hyeong-Tark Han, Sungmin Joo, Takahiro Sakaue, Jae-Hyung Jeon
Nonequilibrium diffusion of active particles bound to a semiflexible polymer network: Simulations and fractional Langevin equation. The Journal of chemical physics 159 (2) (2023)
Matthias Blaschke, Fabian Pauly
Designing mechanosensitive molecules from molecular building blocks: A genetic algorithm-based approach. The Journal of chemical physics 159 (2) (2023)
Aditya N Singh, David T Limmer
Variational deep learning of equilibrium transition path ensembles. The Journal of chemical physics 159 (2) (2023)
Pan Zhang, Weitao Yang
Toward a general neural network force field for protein simulations: Refining the intramolecular interaction in protein. The Journal of chemical physics 159 (2) (2023)
Jacob Pedersen, Piero Decleva, Sonia Coriani, Bruno Nunes Cabral Tenorio
Description of the KLL Auger-Meitner decay spectra of argon following primary and satellite core-ionized states. The Journal of chemical physics 159 (2) (2023)

volume 159, number 20, 2023

Xiangting Li, Tom Chou
Stochastic nucleosome disassembly mediated by remodelers and histone fragmentation. The Journal of chemical physics 159 (20) (2023)

volume 159, number 21, 2023

Lina Peng, Dongling Wu, Tao Wang, Jia Guo, Dianzeng Jia
Cottonseed meal derived porous carbon prepared via the protease pretreatment and reduced activator dosage carbonization for supercapacitor. The Journal of chemical physics 159 (21) (2023)

volume 159, number 3, 2023

volume 159, number 4, 2023

volume 159, number 5, 2023

Arees Garabet, Lutan Liu, Tigran V Chalikian
Heat capacity changes associated with G-quadruplex unfolding. The Journal of chemical physics 159 (5) (2023)
Christian Jonin, Maksymilian Dereniowski, Estelle Salmon, Csilla Gergely, Katarzyna Matczyszyn, Pierre-François Brevet
Hyper Rayleigh scattering from DNA nucleotides in aqueous solution. The Journal of chemical physics 159 (5) (2023)
Rae A Corrigan, Andrew C Thiel, Jack R Lynn, Thomas L Casavant, Pengyu Ren, Jay W Ponder, Michael J Schnieders
A generalized Kirkwood implicit solvent for the polarizable AMOEBA protein model. The Journal of chemical physics 159 (5) (2023)

volume 159, number 6, 2023

volume 159, number 7, 2023

volume 159, number 8, 2023