Publications
2020
Morphological thermodynamics for hard bodies from a controlled expansion
J. F. Robinson, R. Roth, and C. P. Royall
Remnants of the disappearing critical point in chain-forming patchy fluids
D. Stopper, H. Hansen-Goos, R. Roth and R. Evans
J. Chem. Phys. 152, 111101 (2020)
Enhanced protein adsorption upon bulk phase separation
M.R. Fries, D. Stopper, M.W.A. Skoda, M. Blum, Ch. Kertzscher, A. Hinderhofer, F. Zhang, R.M.J. Jacobs, R. Roth and F. Schreiber
Bubble formation in nanopores: a matter of hydrophobicity, geometry, and size
A. Giacomello and R. Roth
Adv. Phys. X 5, 1817780 (2020)
Statics and dynamics of a finite two-dimensional colloidal system with competing attractive critical Casimir and repulsive magnetic dipole interactions
K. Marolt and R. Roth
Phys. Rev. E 102, 042608 (2020)
Toward a density-functional theory for the Jagla fluid
F. Gußmann, S. Dietrich, and R. Roth
Phys. Rev. E 102, 062112 (2020)
2019
Morphometric Approach to Many Body Correlations in Hard Spheres
J.F. Robinson, F. Turci, R. Roth, and C.P. Royall
Phys. Rev. Lett. 122, 068004 (2019)
On the decay of the pair correlation function and the line of vanishing excess isothermal compressibility in simple fluids
D. Stopper, H. Hansen-Goos, R. Roth, and R. Evans
J. Chem. Phys. 151 , 014501 (2019)
Microphase separation in a two-dimensional colloidal system with competing attractive critical Casimir and repulsive magnetic dipole interactions
K. Marolt, M. Zimmermann, and R. Roth
Phys. Rev. E 100 , 052602 (2019)
2018
Bulk dynamics of Brownian hard disks: Dynamic density functional theory versus experiments on two-dimensional colloidal hard spheres
D. Stopper, A.L. Thorneywork, R.P.A. Dullens, and R. Roth
J. Chem. Phys. 148 , 104501 (2018)
Solvent-Mediated Interactions Close to the Fisher-Widom Line
R. Roth
J. Phys. Chem. B 122 , 3556-3561 (2018)
Nonequilibrium phase transitions of sheared colloidal microphases: Results from dynamic density functional theory
D. Stopper and R. Roth
Phys. Rev. E 97 , 062602 (2018)
Mean-field density functional theory of a nanoconfined classical, three-dimensional Heisenberg fluid. II. The interplay between molecular packing and orientational order
S.M. Wandrei, R. Roth, and M. Schoen
J. Chem. Phys. 149 , 054704 (2018)
Microscopic density functional theory for monolayers of diblock copolymer
E. Slyk, R. Roth, and P. Bryk
J. Chem. Phys. 149 , 064902 (2018)
Thermodynamics of the hard-disk fluid at a planar hard wall: Generalized scaled-particle theory and Monte Carlo simulation
S.C. Martin, B.B. Laird, R. Roth, and H. Hansen-Goos
J. Chem. Phys. 149 , 084701 (2018)
Structure factors in a two-dimensional binary colloidal hard sphere system
A.L. Thorneywork, S.K. Schnyder, D.G.A.L. Aarts, J. Horbach, R. Roth, and R.P.A. Dullens
Mol. Phys. 116 , 3245-3257 (2018)
Classical density functional theory meets Monte-Carlo simulations
R. Roth and H. Hansen-Goos
Mol. Phys. 116 , 3323-3330 (2018)
Bulk structural information from density functionals for patchy particles
D. Stopper, F. Hirschmann, M. Oettel, and R. Roth
J. Chem. Phys. 149 , 224503 (2018)
Reentrant Phase Behavior in Protein Solutions Induced by Multivalent Salts: Strong Effect of Anions Cl - Versus NO 3 -
M.K. Braun, A. Sauter, O. Matsarskaia, M. Wolf, F. Roosen-Runge, M. Sztucki, R. Roth, F. Zhang, and F. Schreiber
J. Phys. Chem. B, 122 , 11978-11985 (2018)
2017
Strong Isotope Effects on Effective Interactions and Phase Behavior in Protein Solutions in the Presence of Multivalent Ions
M.K. Braun, M. Wolf, O. Matsarskaia, S. Da Vela, F. Roosen-Runge, M. Sztucki, R. Roth, F. Zhang, and F. Schreiber
J. Phys. Chem. B 121, 1731-1739 (2017)
Bubble gating in biological ion channels: A density functional theory study
F. Gußmann and R. Roth
Phys. Rev. E 95 , 062407 (2017)
Massively parallel GPU-accelerated minimization of classical density functional theory
D. Stopper and R. Roth
J. Chem. Phys. 147 , 064508 (2017)
Corrigendum: Shells of charge: a density functional theory for charged hard spheres (2016 J. Phys. Condens. Matter 28 244006)
R. Roth and D. Gillespie
J. Phys.: Condens. Matter 29 , 449501 (2017)
Phase behavior and bulk structural properties of a microphase former with anisotropic competing interactions: A density functional theory study
D. Stopper and R. Roth
Phys. Rev. E 96 , 042607 (2017)
Strong Isotope Effects on Effective Interactions and Phase Behavior in Protein Solutions in the Presence of Multivalent Ions
M.K. Braun, M. Wolf, O. Matsarskaia, S. Da Vela, F. Roosen-Runge, M. Sztucki, R. Roth, F. Zhang, and F. Schreiber
J. Phys. Chem. B 121 , 1731-1739 (2017)
Multivalent Ion Activated Protein Adsorption Reflecting Bulk Reentrant Behavior
M.R. Fries, D. Stopper, M.K. Braun, A. Hinderhofer, F. Zhang, R.M.J. Jacobs, M.W.A. Skoda, H. Hansen-Goos, R. Roth, and F. Schreiber
Phys. Rev. Lett. 119 , 228001 (2017)
2016
A Numerical Efficient Way to Minimize Classical Density Functional Theory
M. Edelmann and R. Roth
J. Chem. Phys. 144, 074105 (2016)
Hard Spheres at Planar Hard Wall: Simulation and DFT
R.L. Davidchack, B.B. Laird, and R. Roth
Condens. Mat. Phys., 19, 23001 (2016)
New Developments in Classical Density Functional Theory
R. Evans, M. Oettel, R. Roth and G. Kahl
J. Phys.: Condens. Matter 28, 240401 (2016)
Shells of Charge: A Density Functional Theory for Charged Hard Spheres
R. Roth and D. Gillespie
J. Phys.: Condens. Matter 28, 244006 (2016)
Density Functional Theory for Polymeric Systems in 2D
E. Slyk, R. Roth, and P. Bryk
J. Phys.: Condens. Matter 28, 244010 (2016)
Gyroid Phase of Fluids with Spherically Symmetric Competing Interactions
M. Edelmann and R. Roth
Phys. Rev. E 93, 062146 (2016)
Cation-Induced Hydration E ff ects Cause Lower Critical Solution Temperature Behavior in Protein Solutions
O. Matsarskaia, M.K. Braun, F. Roosen-Runge, M. Wolf, F. Zhang, R. Roth, and F. Schreiber
J. Phys. Chem B 120, 7731 (2016)
Structural Relaxation and Diffusion in a Model Colloid Polymer Mixture: Dynamic Density Functional Theory and Simulation
D. Stopper, R. Roth, and H. Hansen-Goos
J. Phys .: Condens. Matter 28, 455101 (2016)
2015
Communication: Dynamical Density Functional Theory for Dense Suspensions of Colloidal Hard Spheres
D. Stopper, R. Roth, and H. Hansen-Goos
J. Chem. Phys. 143, 181105 (2015)
Modeling Diffusion in Colloidal Suspensions by Dynamical Density Functional Theory using Fundamental Measure Theory of Hard Spheres
D. Stopper, K. Marolt, R. Roth, and H. Hansen-Goos
Phys. Rev. E 92, 022151 (2015)
Parameterizing the Surface Free Energy and Excess Adsorption of a Hard-Sphere Fluid at a Planar Hard Wall
R.L. Davidchack, B.B. Laird, and R. Roth
Mol. Phys. 113, 1091-1096 (2015)
Solid-Liquid Interfaces of Ionic Liquid Solutions Interfacial Layering and Bulk Correlations
M. Mezger, R. Roth, H. Schröder, P. Reichert, D. Ponton, and H. Reichert
J. Chem. Phys. 142, 164707 (2015)
Fundamental Measure Theory for the Inhomogeneous Hard-Sphere System Based on Santos' Consistent Free Energy
H. Hansen-Goos, M. Mortazavifar, M. Oettel, and R. Roth
Phys. Rev. E 91 , 052121 (2015)
2014
Shaping the Skin: The Interplay of Mesoscale Geometry and Corneocyte Swelling
M.E. Evans and R. Roth
Phys. Rev. Lett. 112, 038102 (2014)
Ion-Activated Attractive Patches as a Mechanism for Controlled Protein Interactions
F. Roosen-Runge, F. Zhang, F. Schreiber, and R. Roth
Protein Cluster Formation in Aqueous Solution in the Presence of Multivalent Metal Ion - a Light Scattering Study
D. Soraruf, F. Roosen-Runge, M. Grimaldo, F. Zanini, R. Schweins, T. Seydel, F. Zhang, R. Roth, M. Oettel, and F. Schreiber
Solvation of a Sponge-like Geometry
M.E. Evans and R. Roth
Pure Appl. Chem. 86, 173-179 (2014)
Effective Interactions in Protein-Salt Solutions Approaching Liquid-Liquid Phase Separation
M. Wolf, F. Roosen-Runge, F. Zhang, R. Roth, M.W.A. Skoda, R.M.J. Jacobs, M. Sztucki, and F. Schreiber
J. Mol. Liq. 200, 20-27 (2014)
Radial Distribution Functions in a Two-Dimensional Binary Colloidal Hard Sphere System
A.L. Thorneywork, R. Roth, D.G.A.L. Aarts, and R.P.A. Dullens
J. Chem. Phys. 140, 161106 (2014)
Domain and Interdomain Energetics Underlying Gating in Shaker-Type K V Channels
A. Peyser, D. Gillespie, R. Roth, and W. Nonner
Biophys. J. 107, 1841-1852 (2014)
2013
Light-Induced Phase Transitions of Colloidal Monolayers with Crystalline Order
L. Zaidouny, T. Bohlein, R. Roth, and C. Bechinger
Softmatter 9, 9230-9236 (2013)
A Morphometric Approach to the Accurate Solvation Thermodynamics of Proteins and Ligands
Y. Harano, R. Roth, and S. Chiba
J. Comp. Chem. 34, 1969-1974 (2013)
2012
Polyhedral Colloidal 'Rocks': Low-Dimensional Networks
R. Rice, R. Roth, and C.P. Royall
Softmatter 8 , 1163-1167 (2012)
Evaluation of Protein Ligand Binding Free Energy Focused on Its Entropic Components
S. Chiba, Y. Harano, R. Roth, M. Kinoshita, and M. Sakurai
J. Comp. Chem. 33 , 550-560 (2012)
Charge-Controlled Metastable Liquid-Liquid Phase Separation in Protein Solutions as a Universal Pathway towards Crystallization
F. Zhang, R. Roth, M. Wolf, F. Roosen-Runge, M.W.A. Skoda, M.J. Jacobs, M. Sztucki, F. Schreiber
Softmatter 8, 1313-1316 (2012)
The Role of Cluster Formation and Metastable Liquid-liquid Phase Separation in Protein Crystallization
F. Zhang, F. Roosen-Runge, A. Sauter, R. Roth, M.W.A. Skoda, M.J. Jacobs, M. Sztucki, F. Schreiber
Faraday Discuss. 159, 313-325 (2012)
Communication: Fundamendal Measure Theory for Hard Disks: Fluid and Solid
R. Roth, K. Mecke, and M. Oettel
J. Chem. Phys. 136, 081101 (2012)
Geometrical Aspects of Drying in a Capped Capillary: a DFT Study
R. Roth, and A.O. Parry
J. Phys. Soc. Jpn. 81, SA009-1-7 (2012)
2011
Drying in a Capped Capillary
R. Roth and A.O. Parry
Mol. Phys. 109, 1159-1167 (2011)
Free-Energy Function for Discriminating the Native Fold of a Protein from Misfolded Decoys
S. Yasuda, T. Yoshidome, Y. Harano, R. Roth, H. Oshima, K. Oda, Y. Sugita, M. Ikeguchi, and M. Kinoshita
Morphometric Approach to Thermodynamic Quantities of Solvation of Complex Molecules: Extension to Multicomponent Solvent
R. Kodama, R. Roth, Y. Harano, and M. Kinoshita
J. Chem. Phys. 135, 045103-1-8 (2011)
Depletion Potentials in Highly Size Asymmetric Binary Hard-Sphere Mixtures: Comparison of Accurate Simulation Results with Theory
D.J. Ashton, N.B. Wilding, R. Roth, and R. Evans
Phys. Rev. E 84, 061136-1-15 (2011)
Fluid of Discs with Competing Interactions
R. Roth
Mol. Phys. 109, 2897-2905 (2011)
2010
Fundamental Measure Theory of Hard-Sphere Mixtures: a Review
R. Roth
J. Phys .: Condens. Matter 22, 063102-1-18 (2010)
2009
Depletion Interaction of Two Spheres - Full Density Functional Theory. Morphometric Results
M. Oettel, H. Hansen-Goos, P. Bryk, and R. Roth
Europhys. Lett. 85, 36003-1-6 (2009)
Selectivity in Binary Fluid Mixtures: Static and Dynamical Properties
R. Roth, M. Rauscher, and A.J. Archer
Phys. Rev. E 80, 021409-1-10 (2009)
Free-Energy Function Based on All Atom Model for Proteins
T. Yoshidome, K. Oda, Y. Harano, R. Roth, Y. Sugita, M. Ikeguchi, and M. Kinoshita
2008
Bubbles, Gating, and Anesthetics in Ion Channels
R. Roth, D. Gillespie, W. Nonner, and R.E. Eisenberg
Biophys. J. 94, 4282-4298 (2008)
Water and Ice in Contact with Octadecyl Trichlorosilane Functionalized Surfaces: A High Resolution X-Ray Reflectivity Study
M. Mezger, S. Schröder, H. Reichert, H. Schroder, J. Okasonski, V. Honkimaki, J. Ralston, J. Bilgram, R. Roth, and H. Dosch
J. Chem. Phys. 128, 244705-1-13 (2008)
Lock and Key Model System
P.-M. König, R. Roth, and S. Dietrich
Europhys. Lett. 84, 68006-1-5 (2008)
2007
Multiphase Coexistence in Polydisperse Colloidal Mixtures
C. Grodon and R. Roth
J. Chem. Phys. 126, 054901-1-9 (2007)
Physical Basis for Characterizing Native Structure of Protein
Y. Harano, R. Roth, Y. Sugita, M. Ikeguchi, M. Kinoshita
Chem. Phys. Lett. 437, 112-116 (2007)
Experimental Observation of Structural Crossover in Binary Mixtures of Colloidal Hard Spheres
J. Baumgartl, R.P.A. Dullens, M. Dijkstra, R. Roth, and C. Bechinger
Phys. Rev. Lett. 98, 198303-1-4 (2007)
Solvation of Proteins: Linking Thermodynamics to Geometry
H. Hansen-Goos, R. Roth, K. Mecke, and S. Dietrich
Phys. Rev. Lett. 99, 128101-1-4 (2007)
2006
From Pair Correlations to Pair Interactions: To Exact Relation in One-Dimensional Systems
H. Hansen-Goos, C. Lutz, C. Bechinger, and R. Roth
Europhys. Lett. 74, 8-14 (2006)
Effect of Many-Body Interactions on the Bulk and Interfacial Phase Behavior of a Model Colloid Polymer Mixture
M. Dijkstra, R. van Roij, R. Roth, and A. Fortini
Phys. Rev. E 73, 041404-1-14 (2006)
A New Generalization of the Carnahan Starling Equation of State to Additive Mixtures of Hard Spheres
H. Hansen-Goos and R. Roth
J. Chem. Phys. 124, 154506-1-8 (2006)
Capillary evaporation in pores
R. Roth and K.M. Kroll
J. Phys.: Condens. Matter 18, 6517-6530 (2006)
Morphometric Approach to the Solvation Free Energy of Complex Molecules
R. Roth, Y. Harano, and M. Kinoshita
Phys. Rev. Lett. 97, 078101-1-4 (2006)
Density Functional Theory for Hard Sphere Mixtures: The White Bear Version Mark II
H. Hansen-Goos and R. Roth
J. Phys .: Condens. Matter 18, 8413-8425 (2006)
Depletion Potential Between Large Spheres Immersed in a Multicomponent Mixture of Small Spheres
R. Roth and M. Kinoshita
J. Chem. Phys. 125, 084910-1-6 (2006)
Depletion Forces Between Non-Spherical Objects
P.-M. König, R. Roth, and S. Dietrich
Phys. Rev. E 74, 041404-1-8 (2006)
On the Energetics of Protein Folding in Aqueous Solution
Y. Harano, R. Roth, and M. Kinoshita
Chem. Phys. Lett. 432, 275-280 (2006)
2005
Bulk and Inhomogeneous Mixtures of Hard Rods and Excluded Volume Polymer: a Density Functional Approach
P. Bryk and R. Roth
Phys. Rev. E 71, 011510-1-8 (2005)
Solvent Mediated Interactions Close to Fluid-Fluid Phase Separation: Microscopic Treatment of Bridging in a Soft Core Fluid
A.J. Archer, R. Evans, R. Roth, and M. Oettel
J. Chem. Phys. 122, 084513-1-11 (2005)
Curvature Expansion of Density Profiles
P.-M. König, P. Bryk, K.R. Mecke, and R. Roth
Europhys. Lett. 69, 832-838 (2005)
General Methods for Free Volume Theory
S.M. Oversteegen and R. Roth
J. Chem. Phys. 122, 214502-1-12 (2005)
The Depletion Potential in One, Two and Three Dimensions
R. Roth and P.-M. König
Homogeneous and Inhomogeneous Hard-Sphere Mixtures: Manifestations of Structural Crossover
C. Grodon, M. Dijkstra, R. Evans, and R. Roth
Mol. Phys. 103, 3009-3023 (2005)
Fluid Mixtures at Curved Walls
R. Roth
J. Phys.: Condens. Matter 17, S3463-S3468 (2005)
Physics of Size Selectivity
R. Roth and D. Gillespie
Phys. Rev. Lett. 95, 247801-1-4 (2005)
2004
Morphological Thermodynamics of Fluids: Shape Dependence of Free Energies
P.-M. König, R. Roth, and K.R. Mecke
Phys. Rev. Lett. 93, 160601-1-4 (2004)
Decay of Correlation Functions in Hard Sphere Mixtures: Structural Crossover
C. Grodon, M. Dijkstra, R. Evans, and R. Roth
J. Chem. Phys. 121, 7869-7882 (2004)
Non-Analytical Curvature Contributions to Solvation Free Energy: Influence of Drying
R. Evans, J.R. Henderson, and R. Roth
J. Chem. Phys. 121, 12074-12084 (2004)
2003
Direct Measurement of Entropic Forces Induced by Rigid Rods
L. Helden, R. Roth, G.H. Koenderink, P. Leiderer, and C. Bechinger
Phys. Rev. Lett. 90, 048301-1-4 (2003)
Depletion Potentials in Colloidal Mixtures of Spheres and Rods
R. Roth
J. Phys .: Condens. Matter 15, S277-S282 (2003)
Wetting at Curved Substrates: Non-Analytical Behavior of Interfacial Properties
R. Evans, R. Roth, and P. Bryk
Europhys. Lett. 62, 815-821 (2003)
Depletion Potentials Near Geometrically Structured Substrates
P. Bryk, R. Roth, M. Schoen, and S. Dietrich
Europhys. Lett. 63, 233-239 (2003)
Entropic Wetting of a Colloidal Rod-Sphere Mixture
R. Roth, J.M. Brader, and M. Schmidt
Europhys. Lett. 63, 549-555 (2003)
Hard-Sphere Fluids in Contact with Curved Substrates
P. Bryk, R. Roth, K.R. Mecke, and S. Dietrich
Phys. Rev. E 68, 031602-1-8 (2003)
The Asakura-Oosawa Model in the Protein Limit: the Role of Many-Body Interactions
A. Moncho-Jorda, A.A. Louis, P.G. Bolhuis, and R. Roth
J. Phys.: Condens. Matter 15, S3428-S3442 (2003)
2002
Effective Forces in Colloidal Mixtures: From Depletion Attraction to Accumulation Repulsion
A.A. Louis, E. Allahyarov, H. Löwen, and R. Roth
Phys. Rev. E 65, 061407-1-11 (2002)
Entropic Torque
R. Roth, R. van Roij, D. Andrienko, K.R. Mecke, and S. Dietrich
Phys. Rev. Lett. 89, 088301-1-4 (2002)
Microscopic Theory of Solvent Mediated Long Range Forces: Influence of Wetting
A.J. Archer, R. Evans, and R. Roth
Europhys. Lett. 58, 526-532 (2002)
Fundamental Measure Theory for Hard Sphere Mixtures Revisited: The White Bear Version
R. Roth, R. Evans, A. Lang, and G. Kahl
J. Phys.: Condens. Matter 14, 12063-12078 (2002)
2001
The Depletion Potential in Non-additive Hard-Sphere Mixtures
R. Roth, and R. Evans
Europhys. Lett. 53, 271-277 (2001)
Interfacial Properties of Model Colloid-Polymer Mixtures
R. Evans, J.M. Brader, R. Roth, M. Dijkstra, M. Schmidt, and H. Löwen
Phil. Trans. Roy. Soc. A 359, 961-975 (2001)
Generalized Depletion Potentials
A.A. Louis and R. Roth
J. Phys. Condes. Matter 13, L777-784 (2001)
Theory of Asymmetric Non-additive Binary Hard-Sphere Mixtures
R. Roth, R. Evans, and A.A. Louis
Phys. Rev. E 64, 051202-1-13 (2001)
2000
Depletion Potential in Hard Sphere Mixtures: Theory and Applications
R. Roth, R. Evans, and S. Dietrich
Phys. Rev. E 62, 5360-5377 (2000)
Binary Hard-Sphere Fluids Near a Hard Wall
R. Roth and S. Dietrich
Phys. Rev. E 62, 6926-6936 (2000)
1999
Depletion forces near Curved Surfaces
R. Roth, B. Götzelmann, and S. Dietrich
Phys. Rev. Lett. 83, 448-451 (1999)
Depletion potential in hard-sphere fluids
B. Götzelmann, R. Roth, S. Dietrich, M. Dijkstra, and R. Evans
Europhys. Lett. 47, 398-404 (1999)
Understanding Depletion Forces Beyond Entropy
C. Bechinger, D. Rudhardt, P. Leiderer, R. Roth, and S. Dietrich
Phys. Rev. Lett. 83, 3960-3963 (1999)
1998
Frustrated Antiferromagnetic Quantum Spin Chains for Spin Length S> 1
R. Roth, and U. Schollwöck
Phys. Rev. B 58, 9264-9268 (1998)
1997
Variational and Density Matrix Renormalization Group Studies of the Frustrated Antiferromagnetic Heisenberg S = 1 Quantum Spin Chain
A. Kolezhuk, R. Roth, and U. Schollwöck
Phys. Rev. B 55, 8928-8939 (1997)
1996
First Order Transition in the Frustrated Antiferromagnetic Heisenberg S = 1 Quantum Spin Chain
A. Kolezhuk, R. Roth, and U. Schollwöck