Assessing the Validity of NMR Relaxation Rates Obtained from Coarse-Grained Simulations of PEG–Water Mixtures. The Journal of Physical Chemistry B, (127)25:5601--5608, American Chemical Society (ACS), June 2023. [PUMA: EXC2075 PN1 PN3 PN3-15 PN3-3 selected] URL
Reduced order homogenization of thermoelastic materials with strong temperature dependence and comparison to a machine-learned model. Archive of Applied Mechanics, (93)7:2855--2876, Jul 1, 2023. [PUMA: EXC2075 PN3 PN3-3 selected] URL
Influence of bacterial swimming and hydrodynamics on infection by phages. bioRxiv, Cold Spring Harbor Laboratory, January 2024. [PUMA: EXC2075 PN3 PN3-3 selected] URL
Machine Learning-Driven Investigation of the Structure and Dynamics of the BMIM-BF₄ Room Temperature Ionic Liquid. Faraday Discussions, The Royal Society of Chemistry, 2024. [PUMA: EXC2075 PN3 PN3-3 selected] URL
Disentanglement of Surface and Confinement Effects for Diene Metathesis in Mesoporous Confinement. ACS Omega, (9)1:598–606, American Chemical Society (ACS), December 2023. [PUMA: EXC2075 PN3 PN3-3 selected] URL
Assessing the validity of NMR relaxation rates obtained from coarse-grained simulations of PEG-water mixtures. American Chemical Society (ACS), June 2023. [PUMA: EXC2075 PN1 PN3 PN3-3 unclear] URL
ESPResSo, a Versatile Open-Source Software Package for Simulating Soft Matter Systems. Comprehensive Computational Chemistry, Elsevier, 2023. [PUMA: EXC2075 PN3 PN3-3 unclear] URL
A screening of results on the decay length in concentrated electrolytes. Faraday Discussions, (246)0:520-539, The Royal Society of Chemistry, August 2023. [PUMA: EXC2075 PN3 PN3-3 selected] URL
Solvent Effects on Structure and Screening in Confined Electrolytes. Physical Review Letters, (131)11:118201, American Physical Society, September 2023. [PUMA: EXC2075 PN3 PN3-3 selected] URL
NMR Investigation of Water in Salt Crusts: Insights from Experiments and Molecular Simulations. Langmuir, (39)22:7548--7556, American Chemical Society, May 2023. [PUMA: EXC2075 PN3 PN3-3 selected] URL
Bulk ionic screening lengths from extremely large-scale molecular dynamics simulations. Chemical Communications, (56)100:15635-15638, The Royal Society of Chemistry, 2020. [PUMA: EXC2075 PN3 PN3-3 unclear] URL
The control effort to steer self-propelled microswimmers depends on their morphology: comparing symmetric spherical versus asymmetric L -shaped particles. Royal Society Open Science, (8)9The Royal Society, September 2021. [PUMA: EXC2075 PN3 PN3-3 selected] URL
Machine-learned interatomic potentials by active learning: amorphous and liquid hafnium dioxide. npj Computational Materials, (6)1Springer Science and Business Media LLC, July 2020. [PUMA: EXC2075 PN3 PN3-3 selected] URL
An extensible lattice Boltzmann method for viscoelastic flows: complex and moving boundaries in Oldroyd-B fluids. 2021. [PUMA: EXC2075 PN3 PN3-3 unclear]
How to speed up ion transport in nanopores. Nature Communications, (11)1Springer Science and Business Media LLC, November 2020. [PUMA: EXC2075 PN3 PN3-3 selected] URL
Ionic screening in bulk and under confinement. The Journal of Chemical Physics, (155)20:204501, 2021. [PUMA: EXC2075 PN3 PN3-3 selected] URL
DFT accurate interatomic potential for molten NaCl from machine learning. The Journal of Physical Chemistry C, (124)47:25760-25768, ACS Publications, 2020. [PUMA: EXC2075 PN3 PN3-3 merged selected] URL
Modeling the current modulation of bundled DNA structures in nanopores. The Journal of Chemical Physics, (154)5:054901, 2021. [PUMA: EXC2075 PN3 PN3-3 selected] URL
Optimal motility strategies for self-propelled agents to explore porous media. Phys. Rev. E, (108)5:054401, American Physical Society, November 2023. [PUMA: EXC2075 PN3 PN3-3 unclear] URL
A thermalized electrokinetics model including stochastic reactions suitable for multiscale simulations of reaction-advection-diffusion systems. Journal of Computational Science, (63):101770, Elsevier, 2022. [PUMA: EXC2075 PN3 PN3-3 selected]