Atomistic hybrid particle-field molecular dynamics combined with slip-springs: Restoring entangled dynamics to simulations of polymer melts.

Florian Müller-Plathe

Zhenghao Wu Andreas Kalogirou Antonio De Nicola 0002 Giuseppe Milano Florian Müller-Plathe Atomistic hybrid particle-field molecular dynamics combined with slip-springs: Restoring entangled dynamics to simulations of polymer melts. 6-18 2021 42 J. Comput. Chem. 1 https://doi.org/10.1002/jcc.26428 https://www.wikidata.org/entity/Q100428948 db/journals/jcc/jcc42.html#WuK0MM21

Neda Khanjari Hossein Eslami Florian Müller-Plathe Adaptive-numerical-bias metadynamics. 2721-2729 2017 38 J. Comput. Chem. 31 https://doi.org/10.1002/jcc.25066 https://www.wikidata.org/entity/Q48053118 db/journals/jcc/jcc38.html#KhanjariEM17

Hong Liu 0014 You-Liang Zhu Zhong-Yuan Lu Florian Müller-Plathe A kinetic chain growth algorithm in coarse-grained simulations. 2634-2646 2016 37 J. Comput. Chem. 30 https://doi.org/10.1002/jcc.24495 https://www.wikidata.org/entity/Q50579144 db/journals/jcc/jcc37.html#LiuZLM16

Evangelos Voyiatzis Michael C. Böhm Florian Müller-Plathe A geometric approach to identify cavities in particle systems. 247-254 2015 196 Comput. Phys. Commun. https://doi.org/10.1016/j.cpc.2015.06.011 db/journals/cphysics/cphysics196.html#VoyiatzisBM15

Mohammad Alaghemandi Joachim Schulte Frédéric Leroy Florian Müller-Plathe Michael C. Böhm Correlation between thermal conductivity and bond length alternation in carbon nanotubes: A combined reverse nonequilibrium molecular dynamics - Crystal orbital analysis. 121-133 2011 32 J. Comput. Chem. 1 https://doi.org/10.1002/jcc.21605 https://www.wikidata.org/entity/Q84580596 db/journals/jcc/jcc32.html#AlaghemandiSLMB11

Hossein Ali Karimi-Varzaneh Hu-Jun Qian Xiaoyu Chen 0006 Paola Carbone Florian Müller-Plathe IBIsCO: A molecular dynamics simulation package for coarse-grained simulation. 1475-1487 2011 32 J. Comput. Chem. 7 https://doi.org/10.1002/jcc.21717 https://www.wikidata.org/entity/Q48570585 db/journals/jcc/jcc32.html#Karimi-VarzanehQCCM11

Hossein Eslami Florian Müller-Plathe Molecular dynamics simulation in the grand canonical ensemble. 1763-1773 2007 28 J. Comput. Chem. 10 https://doi.org/10.1002/jcc.20689 https://www.wikidata.org/entity/Q51920975 db/journals/jcc/jcc28.html#EslamiM07

Konstantin B. Tarmyshov Florian Müller-Plathe Parallelizing a Molecular Dynamics Algorithm on a Multiprocessor Workstation Using OpenMP. 1943-1952 2005 45 J. Chem. Inf. Model. 6 https://doi.org/10.1021/ci050126l https://www.wikidata.org/entity/Q42674101 db/journals/jcisd/jcisd45.html#TarmyshovM05

Dirk Reith Mathias Pütz Florian Müller-Plathe Deriving effective mesoscale potentials from atomistic simulations. 1624-1636 2003 24 J. Comput. Chem. 13 https://doi.org/10.1002/jcc.10307 https://www.wikidata.org/entity/Q52010759 db/journals/jcc/jcc24.html#ReithPM03

Roland Faller Heiko Schmitz Oliver Biermann Florian Müller-Plathe Automatic parameterization of force fields for liquids by simplex optimization. 1009-1017 1999 20 J. Comput. Chem. 10 https://doi.org/10.1002/(SICI)1096-987X(19990730)20:10<1009::AID-JCC3>3.0.CO;2-C db/journals/jcc/jcc20.html#FallerSBM99

Christian D. Berweger Wilfred F. van Gunsteren Florian Müller-Plathe Finite element interpolation for combined classical/quantum mechanical molecular dynamics simulations. 1484-1495 1997 18 J. Comput. Chem. 12 https://doi.org/10.1002/(SICI)1096-987X(199709)18:12<1484::AID-JCC6>3.0.CO;2-F db/journals/jcc/jcc18.html#BerwegerGM97

Anton Gunzinger Urs A. Müller Walter Scott Bernhard Bäumle Peter Kohler Johann vonder Mühll Florian Müller-Plathe Wilfred F. van Gunsteren Walter Guggenbühl Achieving Super Computer Performance with a DSP Array Processor. 543-550 1992 conf/sc/1992 SC db/conf/sc/sc1992.html#GunzingerMSBKMMGG92 https://doi.org/10.1109/SUPERC.1992.236650 https://doi.ieeecomputersociety.org/10.1109/SUPERC.1992.236650 http://dl.acm.org/citation.cfm?id=148087 Mohammad Alaghemandi Bernhard Bäumle Christian D. Berweger Oliver Biermann Michael C. Böhm Paola Carbone Xiaoyu Chen 0006 Hossein Eslami Roland Faller Walter Guggenbühl Wilfred F. van Gunsteren Anton Gunzinger Andreas Kalogirou Hossein Ali Karimi-Varzaneh Neda Khanjari Peter Kohler Frédéric Leroy Hong Liu 0014 Zhong-Yuan Lu Giuseppe Milano Johann vonder Mühll Urs A. Müller Antonio De Nicola 0002 Mathias Pütz Hu-Jun Qian Dirk Reith Heiko Schmitz Joachim Schulte Walter Scott Konstantin B. Tarmyshov Evangelos Voyiatzis Zhenghao Wu You-Liang Zhu