Our publications
Physical Review Letters
Editor's suggestion July 2023
Physical Review Letters
Editor's suggestion July 2023
Numerical model maps mechanics of complex biofilms
Scilight, J Chem Phys 2023
cover of Soft Matter, 2020 [73]
cover of Soft Matter, 2019 [70]
cover of Physical Review Letters, 2007 [4]
cover of J Chem Phys, 2014 [40]
MANUSCRIPTS IN PREPARATION AND UNDER REVIEW
96. Self-propelled filaments in constant-section and corrugated channels: non-monotonicity in dynamical and structural properties
V.Bianco, J. Martin Roca, P.Esteban Infantes de la Macorra, I Carbajo de la Guerra, I. P. Gallardo Orozco, E.Locatelli, P.Malgaretti and C Valeriani
in preparation
2024
96. Cellular (de)coordination in gliding motility and plectoneme formation
Jerko Rosko, Jelsey Cremin, Emanuele Locatelli, Mary Coates, Sarah Duxbury, Kieran Randall, Katie Crofts, Chantal Valeriani, Marco Polin, Orkun Soyer
under review
95. The trapping mechanism in the carnivorous plant genus Genlisea
Jose Martin Roca, Carlos Miguel Barriuso, Raul Martinez Fernandez, Camila Betterelli Giuliano, Rongjing Zhang, Chantal Valeriani, Laurence G. Wilson
under review
94. Colloidal hard spheres: triumphs, challenges and mysteries
C Patrick Royall, Patrick Charbonneau, Marjolein Dijkstra, John Russo, Frank Smallenburg, Thomas Speck, Chantal Valeriani
under review
93. Discovering dynamic laws from observations with Graph Neural Networks: the case of self-propelled, interacting colloids
M. Ruiz-Garcia, C.M.Barriuso, L.Alexander, D.Aarts, L.Ghiringhelli and C.Valeriani
under review
92. Coil-to-globule collapse of active polymers: a Rouse perspective
P Malgaretti, E. Locatelli and C.Valeriani
2023
91. Self-organized states of solutions of active ring polymers in bulk and under confinement
J Miranda, E. Locatelli and C.Valeriani
90. Minimal numerical ingredients describe chemical microswimmers’ 3-D motion
Maximilian R. Bailey, C. Miguel Barriuso Gutiérrez, José Martín-Roca, Vincent Niggel, Virginia Carrasco-Fadanelli, Ivo Buttinoni, Ignacio Pagonabarraga, Lucio Isa and Chantal Valeriani
Nanoscale (2024), DOI: 10.1039/D3NR03695B
89. Nonmonotonous Translocation Time of Polymers across Pores
E.Locatelli, V.Bianco,C Valeriani and P.Malgaretti
Physical Review Letters, 131, 048101
88. Rheology of Pseudomonas fluorescens biofilms: from experiments to DPD mesoscopic modeling
J. Martin Roca, V.Bianco, F.Alarcon, A.K.Monnappa, P.Natale, F.Monroy, B.Orgaz, I.Lopez Montero and C Valeriani
J Chem Phys (2023), 158, 074902
87. Field-Pulse-Induced Annealing of 2D Colloidal Polycrystals
José Martín-Roca, Manuel Horcajo-Fernández, Chantal Valeriani, Francisco Gámez and Fernando Martínez-Pedrero
arxiv
2022
86. Deep learning for unravelling features of heterogeneous ice nucleation
C.Valeriani
PNAS, Commentary
85. Simulating active colloids with DPD hydrodynamics under confinement
C.M.Barriuso, J. Martin Roca, V.Bianco, I.Pagonabarraga and C.Valeriani
"Active mater in complex environments" special issue of Frontiers in Soft Matter
84. Dynamic anomalies and structural features of repulsive Active Brownian Particles characterised by two length scales
J. Martin Roca, R. Martinez, F.Martinez Pedrero, J.Ramirez and C Valeriani
"Slow dynamics" special issue, J Chem Phys
83. Rotating micro-spheres for adsorption monitoring at a fluid interface
J. Martin Roca, M.Jimenez, F.Ortega, C.Calero, C.Valeriani, R.G.Rubio and F.Pedrero Martinez
Journal of Colloid and Interface Science, 2022
82. Intrinsic structure perspective for MIPS interfaces in systems of ABP
F. Alarcon, E. Chacon, J. Ramirez, P. Tarazona and C Valeriani
Soft Matter, 2022, DOI: 10.1039/D1SM01493E
2021
81. Collective motion of run-and-tumble repulsive and attractive particles in one-dimensional systems
C Barriuso Gutierrez, C Vanhille Campos, F Alarcón, I Pagonabarraga, R Brito and C Valeriani
Soft Matter 2021 DOI:10.1039/D1SM01006A
80. Influence of water models on water movement through AQP1
MA Gonzalez, A Zaragoza, CI Lynch, MSP Sansom, C Valeriani
Journal of Chemical Physics 155, 154502 (2021)
79. Characterization of MIPS in a suspension of repulsive Active Brownian Particles through dynamical features
J Martin, R Martinez, L C Alexander, A L Diez, D A Aarts, F Alarcon, J Ramirez and C Valeriani
Journal of Chemical Physics 154, 164901 (2021)
78. In-silico modeling of early-stage biofilm formation
P Nie, FA Oseguera, I Lopez-Montero, B Orgaz, C Valeriani, MP Ciamarra
Soft Materials 0, 1 (2021)
77. Self-Adaptation of Pseudomonas fluorescens Biofilms to Hydrodynamic Stress
Josué Jara, Francisco Alarcón, Ajay K Monnappa, José Ignacio Santos, Valentino Bianco, Pin Nie, Massimo Pica Ciamarra, Ángeles Canales, Luis Dinis, Iván López-Montero, Chantal Valeriani, Belén Orgaz
Frontiers in microbiology 11, 3460 (2021)
2020
76. Effect of dissolved salt on the anomalies of water at negative pressure
A Zaragoza, CSP Tripathi, MA Gonzalez, JLF Abascal, F Caupin, C.Valeriani
The Journal of Chemical Physics 152 (19), 194501
75. Seeding approach to nucleation in the NVT ensemble: The case of bubble cavitation in overstretched Lennard Jones fluids
P Rosales-Pelaez, I Sanchez-Burgos, C Valeriani, C Vega, E Sanz
Physical Review E 101 (2), 022611
74. Phase behaviour and dynamical features of a two-dimensional binary mixture of active/passive spherical particles
DR Rodriguez, F Alarcon, R Martinez, J Ramírez, C Valeriani
Soft matter 16 (5), 1162-1169
73. Trapping flocking particles with asymmetric obstacles - COVER
R Martinez, F Alarcon, JL Aragones, C Valeriani
Soft matter 16 (20), 4739-4745
2019
72. Seeding approach to bubble nucleation in superheated Lennard-Jones fluids
P Rosales-Pelaez, MI Garcia-Cid, C Valeriani, C Vega, E Sanz
Physical Review E 100 (5), 052609
71. Orientational order and morphology of clusters of self-assembled Janus swimmers
F Alarcon, E Navarro-Argemí, C Valeriani, I Pagonabarraga
Physical Review E 99 (6), 062602
70. Heterogeneous versus homogeneous crystal nucleation of hard spheres - COVER
JR Espinosa, C Vega, C Valeriani, D Frenkel, E Sanz
Soft Matter 15 (47), 9625-9631
69. Molecular dynamics study of nanoconfined TIP4P/2005 water: how confinement and temperature affect diffusion and viscosity
A Zaragoza, MA González, L Joly, I López-Montero, MA Canales, A Benavides and C Valeriani
Physical Chemistry Chemical Physics 21 (25), 13653-13667
68. Ice Ih vs. ice III along the homogeneous nucleation line
JR Espinosa, AL Diez, C Vega, C Valeriani, J Ramirez, E Sanz
Physical Chemistry Chemical Physics 21 (10), 5655-5660
2018
67. Viscosity and self-diffusion of supercooled and stretched water from molecular dynamics simulations
P Montero de Hijes, E Sanz, L Joly, C Valeriani, F Caupin
The Journal of chemical physics 149 (9), 094503
66. Collective behavior of Vicsek particles without and with obstacles⋆
R Martinez, F Alarcon, DR Rodriguez, JL Aragones, C Valeriani
The European Physical Journal E 41 (8), 1-11
65. A simulation study of homogeneous ice nucleation in supercooled salty water
GD Soria, JR Espinosa, J Ramirez, C Valeriani, C Vega, E Sanz
The Journal of chemical physics 148 (22), 222811
64. An active approach to colloidal self-assembly
SA Mallory, C Valeriani, A Cacciuto
Annual review of physical chemistry 69, 59-79
63. Phase boundaries, nucleation rates and speed of crystal growth of the water-to-ice transition under an electric field: A simulation study
A Zaragoza, JR Espinosa, R Ramos, JA Cobos, JL Aragones, C Vega, E.Sanz, J.Ramirez and C.Valeriani
Journal of Physics: Condensed Matter 30 (17), 174002
62. Pressure control in interfacial systems: Atomistic simulations of vapor nucleation
S Marchio, S Meloni, A Giacomello, C Valeriani, CM Casciola
The Journal of chemical physics 148 (6), 064706
2017
61. Self-assembly of active amphiphilic Janus particles
SA Mallory, F Alarcon, A Cacciuto, C Valeriani
New Journal of Physics 19 (12), 125014
60. Role of salt, pressure, and water activity on homogeneous ice nucleation
JR Espinosa, GD Soria, J Ramirez, C Valeriani, C Vega, E Sanz
The journal of physical chemistry letters 8 (18), 4486-4491
59. Brownian versus newtonian devitrification of hard-sphere glasses
PM de Hijes, P Rosales-Pelaez, C Valeriani, PN Pusey, E Sanz
Physical Review E 96 (2), 020602
58. Two-structure thermodynamics for the TIP4P/2005 model of water covering supercooled and deeply stretched regions
JW Biddle, RS Singh, EM Sparano, F Ricci, MA González, C Valeriani, J.L.F.Abascal, P.G.Debenedetti, M.A.Anisimov and F.Caupin
The Journal of chemical physics 146 (3), 034502
Two-structure thermodynamics for the TIP4P/2005 model of water covering supercooled and deeply stretched regions (vol 146, 034502, 2017)
EM Sparano, F Ricci, MA Gonzalez, C Valeriani, JLF Abascal, ...
Journal of Chemical Physics 148, 069901
57. Lattice mold technique for the calculation of crystal nucleation rates
JR Espinosa, P Sampedro, C Valeriani, C Vega, E Sanz
Faraday discussions 195, 569-582
56. Morphology of clusters of attractive dry and wet self-propelled spherical particle suspensions
F Alarcón, C Valeriani, I Pagonabarraga
Soft matter 13 (4), 814-826
2016
55. On the time required to freeze water
JR Espinosa, C Navarro, E Sanz, C Valeriani, C Vega
The Journal of chemical physics 145 (21), 211922
54. Molecular mechanism for cavitation in water under tension
G Menzl, MA Gonzalez, P Geiger, F Caupin, JLF Abascal, C Valeriani, C. Dellago
Proceedings of the National Academy of Sciences 113 (48), 13582-13587
53. Avalanche mediated devitrification in a glass of pseudo hard-spheres
P Rosales-Pelaez, PM de Hijes, E Sanz, C Valeriani
Journal of Statistical Mechanics: Theory and Experiment 2016 (9), 094005
52. Interfacial free energy as the key to the pressure-induced deceleration of ice nucleation
JR Espinosa, A Zaragoza, P Rosales-Pelaez, C Navarro, C Valeriani, ...
Physical review letters 117 (13), 135702
51. A comprehensive scenario of the thermodynamic anomalies of water using the TIP4P/2005 model
MA González, C Valeriani, F Caupin, JLF Abascal
The Journal of chemical physics 145 (5), 054505
50. Seeding approach to crystal nucleation
JR Espinosa, C Vega, C Valeriani, E Sanz
The Journal of chemical physics 144 (3), 034501
49. Equation of state for water and its line of density maxima down to− 120 MPa
G Pallares, MA Gonzalez, JLF Abascal, C Valeriani, F Caupin
Physical Chemistry Chemical Physics 18 (8), 5896-5900
48. Micro-phase separation in two dimensional suspensions of self-propelled spheres and dumbbells
C Tung, J Harder, C Valeriani, A Cacciuto
Soft Matter 12 (2), 555-561
2015
47. Competition between ices Ih and Ic in homogeneous water freezing
A Zaragoza, MM Conde, JR Espinosa, C Valeriani, C Vega, E Sanz
The Journal of chemical physics 143 (13), 134504
46. Anomalous dynamics of an elastic membrane in an active fluid
SA Mallory, C Valeriani, A Cacciuto
Physical Review E 92 (1), 012314
45. The crystal-fluid interfacial free energy and nucleation rate of NaCl from different simulation methods
JR Espinosa, C Vega, C Valeriani, E Sanz
The Journal of chemical physics 142 (19), 194709
44. Bubble nucleation in simple and molecular liquids via the largest spherical cavity method
MA Gonzalez, JLF Abascal, C Valeriani, F Bresme
The Journal of chemical physics 142 (15), 154903
43. Mediated by a liquid
E Sanz, C Valeriani
Nature materials, News and Views 14 (1), 15-16
2014
42. Activity-induced collapse and reexpansion of rigid polymers
J Harder, C Valeriani, A Cacciuto
Physical Review E 90 (6), 062312
41. Exposing a dynamical signature of the freezing transition through the sound propagation gap
VA Martinez, E Zaccarelli, E Sanz, C Valeriani, W Van Megen
Nature communications 5 (1), 1-8
40. The role of particle shape in active depletion - COVER
J Harder, SA Mallory, C Tung, C Valeriani, A Cacciuto
The Journal of chemical physics 141 (19), 194901
39. Homogeneous ice nucleation evaluated for several water models
JR Espinosa, E Sanz, C Valeriani, C Vega
The Journal of chemical physics 141 (18), 18C529
38. Detecting vapour bubbles in simulations of metastable water
MA González, G Menzl, JL Aragones, P Geiger, F Caupin, JLF Abascal, C.Dellago and C.Valeriani
The Journal of chemical physics 141 (18), 18C511
37. Curvature-induced activation of a passive tracer in an active bath
SA Mallory, C Valeriani, A Cacciuto
Physical Review E 90 (3), 032309
36. Anomalies in bulk supercooled water at negative pressure
G Pallares, MEM Azouzi, MA González, JL Aragones, JLF Abascal, C.Valeriani and F.Caupin
Proceedings of the National Academy of Sciences 111, 7936
35. Anomalous thermomechanical properties of a self-propelled colloidal fluid
SA Mallory, A Saric, C Valeriani, A Cacciuto
Physical Review E 89, 052303
34. Avalanches mediate crystallization in a hard-sphere glass
E Sanz, C Valeriani, E Zaccarelli, WCK Poon, ME Cates, PN Pusey
Proceedings of the National Academy of Sciences 111, 75
33. Nucleation free-energy barriers with hybrid Monte-Carlo/umbrella sampling
MA Gonzalez, E Sanz, C McBride, JLF Abascal, C Vega, C Valeriani
Physical Chemistry Chemical Physics 16, 24913
32. Chemotactic clusters in confined run-and-tumble bacteria: a numerical investigation
EJ Marsden, C Valeriani, I Sullivan, ME Cates, D Marenduzzo
Soft Matter 10, 157
2013
31. Living clusters and crystals from low-density suspensions of active colloids
BM Mognetti, A Saric, S Angioletti-Uberti, A Cacciuto, C Valeriani, and D.Frenkel
Physical review letters 111 (24), 245702
Focus: Particle Clustering Phenomena Inspire Multiple Explanations
P Ball
Physics 6, 134
30. On fluid-solid direct coexistence simulations: The pseudo-hard sphere model
JR Espinosa, E Sanz, C Valeriani, C Vega
The Journal of chemical physics 139 (14), 144502
29. Homogeneous ice nucleation at moderate supercooling from molecular simulation
E Sanz, C Vega, JR Espinosa, R Caballero-Bernal, JLF Abascal, and C.Valeriani
Journal of the American Chemical Society 135 (40), 15008-15017
28. Free energy calculations for molecular solids using GROMACS
JL Aragones, EG Noya, C Valeriani, C Vega
The Journal of chemical physics 139 (3), 034104
27. Homogeneous bubble nucleation in water at negative pressure: A Voronoi polyhedra analysis
JLF Abascal, MA Gonzalez, JL Aragones, C Valeriani
The Journal of chemical physics 138 (8), 084508
2012
26. Note: Free energy calculations for atomic solids through the Einstein crystal/molecule methodology using GROMACS and LAMMPS
JL Aragones, C Valeriani, C Vega
The Journal of chemical physics 137 (14), 146101
25. Calculation of the melting point of alkali halides by means of computer simulations
JL Aragones, E Sanz, C Valeriani, C Vega
The Journal of chemical physics 137 (10), 104507
24. Phase separation and rotor self-assembly in active particle suspensions
J Schwarz-Linek, C Valeriani, A Cacciuto, ME Cates, D Marenduzzo, AN Morozov, WCK Poon
Proceedings of the National Academy of Sciences 109 (11), 4052-4057
23. A parameter-free, solid-angle based, nearest-neighbor algorithm
JA van Meel, L Filion, C Valeriani, D Frenkel
J.Chem.Phys. 136, 234107
22. From compact to fractal crystalline clusters in concentrated systems of monodisperse hard spheres
C Valeriani, E Sanz, PN Pusey, WCK Poon, ME Cates, E Zaccarelli
Soft Matter 8 (18), 4960-4970
2011
21. Crystallization mechanism of hard sphere glasses
E Sanz, C Valeriani, E Zaccarelli, WCK Poon, PN Pusey, ME Cates
Physical review letters 106 (21), 215701
20. Crystallization and aging in hard-sphere glasses
C Valeriani, E Sanz, E Zaccarelli, WCK Poon, ME Cates, PN Pusey
Journal of Physics: Condensed Matter 23 (19), 194117
Erratum: Crystallization and aging in hard-sphere glasses
C Valeriani, E Sanz, E Zaccarelli, WCK Poon, ME Cates, PN Pusey
Journal of Physics: Condensed Matter 23 (31), 319501
19. Colloids in a bacterial bath: simulations and experiments
C Valeriani, M Li, J Novosel, J Arlt, D Marenduzzo
Soft Matter 7 (11), 5228-5238
2010
18. Non-equilibrium dynamics of an active colloidal “chucker”
C Valeriani, RJ Allen, D Marenduzzo
The Journal of chemical physics 132 (20), 204904
17. Computer simulations of the restricted primitive model at very low temperature and density
C Valeriani, PJ Camp, JW Zwanikken, R Van Roij, M Dijkstra
Journal of Physics: Condensed Matter 22 (10), 104122
16. Ion association in low-polarity solvents: comparisons between theory, simulation, and experiment
C Valeriani, PJ Camp, JW Zwanikken, R van Roij, M Dijkstra
Soft Matter 6 (12), 2793-2800
2009
15. Hard spheres: crystallization and glass formation
PN Pusey, E Zaccarelli, C Valeriani, E Sanz, WCK Poon, ME Cates
Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 367 4993
14. Forward flux sampling for rare event simulations
RJ Allen, C Valeriani, PR Ten Wolde
Journal of physics: Condensed matter 21 (46), 463102
13. Crystallization of hard-sphere glasses
E Zaccarelli, C Valeriani, E Sanz, WCK Poon, ME Cates, PN Pusey
Physical review letters 103 (13), 135704
12. Homogeneous bubble nucleation driven by local hot spots: A molecular dynamics study
ZJ Wang, C Valeriani, D Frenkel
The Journal of Physical Chemistry B 113 (12), 3776-3784
2008
11. Out-of-equilibrium processes in suspensions of oppositely charged colloids: liquid-to-crystal nucleation and gel formation
E Sanz, C Valeriani, T Vissers, A Fortini, ME Leunissen, A Van Blaaderen, ...
Journal of Physics: Condensed Matter 20 (49), 494247
10. Homogeneous nucleation under shear in a two-dimensional Ising model: Cluster growth, coalescence, and breakup
RJ Allen, C Valeriani, S Tănase-Nicola, PR Ten Wolde, D Frenkel
The Journal of chemical physics 129 (13), 134704
9. State-of-the-art models for the phase diagram of carbon and diamond nucleation
LM Ghiringhelli, C Valeriani, JH Los, EJ Meijer, A Fasolino, D Frenkel
Molecular Physics 106 (16-18), 2011-2038
8. Nucleation in a sheared Ising model: effects of external field
RJ Allen, C Valeriani, S Tānase-Nicola
Progress of Theoretical Physics Supplement 175, 144-153
7. Irreducible finite-size effects in the surface free energy of NaCl crystals from crystal-nucleation data
T Zykova-Timan, C Valeriani, E Sanz, D Frenkel, E Tosatti
Physical review letters 100 (3), 036103
2007
6. Comparison of simple perturbation-theory estimates for the liquid–solid and the liquid–vapor interfacial free energies of Lennard-Jones systems
C Valeriani, ZJ Wang, D Frenkel
Molecular Simulation 33 (13), 1023-1028
Erratum: Comparison of simple perturbation-theory estimates for the liquid-solid and the liquid-vapour inter-facial free-energies of Lennard-Jones system
C Valeriani, ZJ Wang, D Frenkel
Molecular Simulation 35 (05), 429-430
5. Computing stationary distributions in equilibrium and nonequilibrium systems with forward flux sampling
C Valeriani, RJ Allen, MJ Morelli, D Frenkel, P Rein ten Wolde
The Journal of chemical physics 127 (11), 114109
4. Local structure of liquid carbon controls diamond nucleation - COVER
LM Ghiringhelli, C Valeriani, EJ Meijer, D Frenkel
Physical review letters 99 (5), 055702
3. Evidence for out-of-equilibrium crystal nucleation in suspensions of oppositely charged colloids
E Sanz, C Valeriani, D Frenkel, M Dijkstra
Physical review letters 99 (5), 055501
PHD THESIS
Numerical studies of nucleation pathways of ordered and disordered phases
C Valeriani, PhD Thesis, University of Amsterdam, 16Th of November 2007
2005
2. Rate of homogeneous crystal nucleation in molten NaCl
C Valeriani, E Sanz, D Frenkel
The Journal of chemical physics 122 (19), 194501
2003
1.Fluctuation-dissipation relations and energy landscape in an out-of-equilibrium strong-glass-forming liquid
A Scala, C Valeriani, F Sciortino, P Tartaglia
Physical review letters 90 (11), 115503