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Physical Chemistry

Working Paper

Grand-reaction method for simulations of ionization equilibria coupled to ion partitioning

Jonas Landsgesell, Oleg Rud, Pascal Hebbeker, Raju Lunkad, Peter Košovan, Christian Holm

Version 4 posted 19 March 2020

1,591

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Physical Chemistry

Working Paper

DFT Accurate Interatomic Potential for Molten NaCl from Machine Learning

Samuel Tovey, Anand Narayanan Krishnamoorthy, ganesh sivaraman, Jicheng Guo, Chris Benmore, Andreas Heuer, Christian Holm

Version 1 posted 22 May 2020

972

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Physical Chemistry

Working Paper

Can Oppositely Charged Polyelectrolyte Stars Form a Gel? A Simulational Study

Andrea Tagliabue, Jonas Landsgesell, Massimo Mella, Christian Holm

Version 1 posted 17 September 2020

485

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Physical Chemistry

Working Paper

Bulk Ionic Screening Lengths from Extremely Large-Scale Molecular Dynamics Simulations

Johannes Zeman, Svyatoslav Kondrat, Christian Holm

Version 1 posted 12 November 2020

430

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Polymer Science

Working Paper

Modelling microgel swelling: Influence of chain finite extensibility

Mariano E. Brito, Christian Holm

Version 1 posted 01 March 2024

192

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Polymer Science

Working Paper

Modeling swelling of pH-responsive microgels: Theory and simulations

Mariano E. Brito, Ellen Höpner, David Beyer, Christian Holm

Version 2 posted 16 December 2024

235

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Physical Chemistry

Working Paper

Unexpected Two-Stage Swelling of Weak Polyelectrolyte Brushes with Divalent Counterions

David Beyer, Christian Holm

Version 2 posted 22 July 2024

246

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Polymer Science

Working Paper

How Charge Regulation Affects pH-Responsive Ampholyte Uptake in Weak Polyelectrolyte Brushes

Keerthi Radhakrishnan, David Beyer, Christian Holm

Version 2 posted 08 November 2024

392

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Inorganic Chemistry

Working Paper

[45Ti]Ti-DOTA: En route towards aza-macrocyclic 45Ti-based radiopharmaceuticals

Tamal Roy, Eduard Pogorilyy, Chubina Pathma Kumarananthan, Unni Augestad Kvitastein, Marco Foscato, Karl Wilhelm Törnroos, Tom Christian Holm Adamsen, Erwan Le Roux

Version 3 posted 24 April 2024

350

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Physical Chemistry

Working Paper

How to Correct Erroneous Symmetry-Breaking in Coarse-Grained Constant-pH Simulations

David Beyer, Pablo M. Blanco, Jonas Landsgesell, Peter Kosovan, Christian Holm

Version 3 posted 17 December 2024

331

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Refine Search

16 results in Christian Holm in Authors: Christian Holm

Grand-reaction method for simulations of ionization equilibria coupled to ion partitioning

DFT Accurate Interatomic Potential for Molten NaCl from Machine Learning

Can Oppositely Charged Polyelectrolyte Stars Form a Gel? A Simulational Study

Bulk Ionic Screening Lengths from Extremely Large-Scale Molecular Dynamics Simulations

Modelling microgel swelling: Influence of chain finite extensibility

Modeling swelling of pH-responsive microgels: Theory and simulations

Unexpected Two-Stage Swelling of Weak Polyelectrolyte Brushes with Divalent Counterions

How Charge Regulation Affects pH-Responsive Ampholyte Uptake in Weak Polyelectrolyte Brushes

[45Ti]Ti-DOTA: En route towards aza-macrocyclic 45Ti-based radiopharmaceuticals

How to Correct Erroneous Symmetry-Breaking in Coarse-Grained Constant-pH Simulations

16 results in Authors: Christian Holm