Permeability Estimation of Regular Porous Structures: A Benchmark for Comparison of Methods. Transport in Porous Media, 17.04.2021. [PUMA: EXC2075 dfg from:marcobrckner icp peerReviewed postPrint sfb1313] URL
Specific ion effects for polyelectrolytes in aqueous and non-aqueous media: the importance of the ion solvation behavior. Soft Matter, (14)30:6243-6255, The Royal Society of Chemistry, 2018. [PUMA: EXC310 dfg from:marcobrckner icp peerReviewed postPrint sfb716] 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 from:marcobrckner icp peerReviewed postPrint] URL
Polymer architecture of magnetic gels: a review. Journal of Physics: Condensed Matter, (30)6:063002, IOP Publishing, Januar 2018. [PUMA: BW-Unicluster EXC310 dfg from:marcobrckner hlrs icp peerReviewed postPrint spp1681] URL
A polarizable MARTINI model for monovalent ions in aqueous solution. The Journal of Chemical Physics, (149)16:163319, AIP Publishing, Oktober 2018. [PUMA: EXC310 from:marcobrckner icp peerReviewed postPrint sfb716] URL
First-Principles Parametrization of Polarizable Coarse-Grained Force Fields for Ionic Liquids. Journal of Chemical Theory and Computation, (14)3:1471--1486, American Chemical Society (ACS), Januar 2018. [PUMA: EXC310 dfg from:marcobrckner icp peerReviewed postPrint sfb716] URL
Machine-learned interatomic potentials by active learning: amorphous and liquid hafnium dioxide. npj Computational Materials, (6)1Springer Science and Business Media LLC, Juli 2020. [PUMA: EXC2075 dfg from:marcobrckner icp peerReviewed postPrint] URL
In silico Complexes of Amino Acids and Diamondoids. ChemPhysChem, (20)17:2166--2170, Wiley, Juli 2019. [PUMA: EXC310 dfg from:marcobrckner icp peerReviewed postPrint] URL
Bulk ionic screening lengths from extremely large-scale molecular dynamics simulations. Chem. Commun., (56)100:15635-15638, The Royal Society of Chemistry, 2020. [PUMA: dfg exc2075 from:marcobrckner icp peerReviewed postPrint] URL
Charge Me Slowly, I Am in a Hurry: Optimizing Charge–Discharge Cycles in Nanoporous Supercapacitors. ACS Nano, (12)10:9733--9741, American Chemical Society (ACS), August 2018. [PUMA: EXC2075 dfg from:marcobrckner hlrs icp peerReviewed postPrint sfb716] URL
Influence of Cosolutes on Chemical Equilibrium: a Kirkwood–Buff Theory for Ion Pair Association–Dissociation Processes in Ternary Electrolyte Solutions. The Journal of Physical Chemistry C, (122)19:10293--10302, American Chemical Society (ACS), April 2018. [PUMA: EXC310 bw4cluster dfg from:marcobrckner icp peerReviewed postPrint sfb716] URL
Studying the field-controlled change of shape and elasticity of magnetic gels using particle-based simulations. Archive of Applied Mechanics, (89)1:3--16, 01.01.2019. [PUMA: BW-unicluster dfg from:marcobrckner hlrs icp peerReviewed postPrint spp1681EXC310] URL
Microphase separation and the formation of ion conductivity channels in poly(ionic liquid)s: A coarse-grained molecular dynamics study. The Journal of Chemical Physics, (148)19:193824, AIP Publishing, Mai 2018. [PUMA: EXC310 dfg from:marcobrckner icp peerReviewed postPrint] URL
Accelerating the calculation of dipolar interactions in particle based simulations with open boundary conditions by means of the P2NFFT method. Journal of Computational Physics, (391):243--258, Elsevier BV, August 2019. [PUMA: EXC310 dfg from:marcobrckner icp peerReviewed postPrint sfb716 spp1681] URL
Domain-size effect on the electronic properties of two-dimensional $MoS_2/WS_2$. Phys. Rev. B, (101)7:075129, American Physical Society, Februar 2020. [PUMA: EXC310 from:marcobrckner icp peerReviewed postPrint] URL
Deep learning for nanopore ionic current blockades. The Journal of Chemical Physics, (154)4:044111, AIP Publishing, Januar 2021. [PUMA: EXC2075 from:marcobrckner icp peerReviewed postPrint] URL
Electrically sensing Hachimoji DNA nucleotides through a hybrid graphene/h-BN nanopore. Nanoscale, (12)35:18289-18295, The Royal Society of Chemistry, 2020. [PUMA: postPrint icp sfb716 peerReviewed from:marcobrckner EXC2075] 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: postPrint icp peerReviewed from:marcobrckner EXC2075] URL
2D MoS2 nanopores: ionic current blockade height for clustering DNA events. 2D Materials, (6)4:045011, IOP Publishing, Juli 2019. [PUMA: postPrint EXC310 icp dfg peerReviewed from:marcobrckner] URL
In silico Complexes of Amino Acids and Diamondoids. ChemPhysChem, (20)17:2166--2170, Wiley, Juli 2019. [PUMA: postPrint EXC310 icp dfg peerReviewed from:marcobrckner] URL