Cuppen Research Group

Mobility in Molecular Layers

Welcome to the website of the Cuppen Research Group.
We have recently started as a new group within the Theoretical Chemistry Department of the Institute for Molecules and Materials at the Radboud University Nijmegen.
We collaborate with the Solid State Chemistry group of IMM and the Sackler Laboratory of Astrophysics for experimental verification.

Please look around to learn more about our research and us.

Upcoming event:

Summerschool: Chemistry and Infrared Spectroscopy of Interstellar Dust

Kinetics in Soft Molecular Layers
— from interstellar ices to polymorph control —

My main research lines centers around the investigation of molecular mobility in solid layers by a truly multidisciplinary approach: combining the expertise from crystal growth, astrophysics, and chemistry. We aim to answer long standing questions in the context of two cross-disciplinary applications: the formation and evolution of interstellar ices and the solid state transition from one crystal structure — polymorph — to another. The first is important for fundamental questions dealing with the origin of life, specifically concerning the delivery of molecules — like H₂O, CO₂ and organic molecules — to habitable planets. The second application is of great interest to the pharmaceutical industry where polymorph control is crucial. The polymorphic form controls the solubility of the compound and is therefore key in dose determination. The goal of the investigation is to obtain an understanding of mobility in molecular layers on the molecular level in order to (i) understand the processes in interstellar ices leading to the meeting of two reactive species, (ii) identify the trapping mechanisms in interstellar ices, (iii) predict which molecules can survive in ices in the harsh environment of star and planet forming regions, (iv) determine which processes are fundamental to polymorphic conversion, and (v) design a way to inhibit or promote polymorphic conversion. I propose to study the mobility in molecular layers using a combination of simulation techniques. The fundamental difficulty is to cover processes that take place over a large range of timescales: from picoseconds to years. Advances in numerical simulations have only recently made this research possible. Using Molecular Dynamics and Monte Carlo simulations we will study the interactions and processes in molecular layers on different lengthscales and covering a timescale range of roughly 20 orders of magnitude. This ambitious research project will be carried out in the Institute for Molecules and Materials at the Radboud University in Nijmegen, but will also benefit from existing and new collaborations with local, national and international colleagues.

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Shining light on molecules

This research is part of the Dutch Astrochemistry Network and is in collaboration with the Sackler Laboratory for Astrophysics where the experimental part will be carried out.

This 4 yrs PhD project studies the photoprocessing of interstellar ices both from an experimental and theoretical point of view. Dedicated UHV experiments are performed in which ices are irradiated with broadband UV light, simulating the interstellar radiation field. A new experimental setup MATRI2CES (Mass Analytical Tool for Reactions in Interstellar ICES) will become operational in the second half of 2010 and this setup has the unique feature that it will be able to study ice reaction products in situ and in real time. A new detection scheme allows studying also larger and complex species. The focus of this project is on the formation of new molecular species through reactions of photo-fragments. Special in this project is the combined experimental/theoretical approach.
The goal of the theoretical part of the project is to simulate the evolution of photoprocessing of ices in different environments. Kinetic Monte Carlo simulations are performed to simulate the photochemistry in the ice and to extend conclusions beyond boundaries that are directly accessible in the laboratory work, i.e. extrapolating basic parameters to astronomical environments and timescales. Moreover, we aim to compose a simple description of ice photoprocessing that can be used in astrochemical models. Most of the current astrochemical models to simulate grain chemistry do not consider the structure of the ice and ignore any layering or structural effect. However, it was recently shown that the structure of the ice is central to the reactivity [1-3] and lifetimes of molecules in the ice. The Monte Carlo technique includes this layering and will still be able to describe the photochemistry of interstellar ice at astronomical timescales.

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Molecular hydrogen formation on interstellar grains

Many of the molecules that have been observed in the ISM in the gas phase, following detailed laboratory and observational searches, are believed to form on dust particles, rather than in gas phase reactions. I use lattice-gas Monte Carlo simulations to study the surface reactions on such grains. Two temperature regimes have been examined: low temperatures (10-30 K) where H atoms are physisorbed to the grain and higher temperatures (> 100 K) where the atoms are chemisorbed to the grain. For the latter I used a graphite surface as a template for the interstellar grains. Until now I have mainly concentrated on the formation of molecular hydrogen. We tuned the surface roughness and included pulsed heating of the grains by photon adsorption. In both cases, the detailed study led to interesting, and sometimes surprising, insight on the influence of the physical parameters on reaction processes. In contrast to interpretations of experiments, I could obtain H₂ under interstellar circumstances by using ``bumpy'' surfaces, which resemble grains more closely than the flat samples used in the laboratory.

For the chemisorption regime we recently developed a model for H2 formation on a graphite surface in warm conditions. The graphite surface acts as a model system for grains containing large areas of polycyclic aromatic hydrocarbon structures. This model was tested against three independent experimental observations which are well reproduced. The model was then used to obtain a new description of the H2 formation rate as a function of gas temperature that can be implemented in molecular shock models.

Name	Room number	Phone number +31-(0)24-36	E-mail @science.ru.nl
Dr. Herma Cuppen	HG03.041	53035	H.Cuppen
Dr. Alexander Atamas	HG03.609	52596	A.Atamas
Dr. Simone Tatoli	HG03.609	52596	S.Tatoli
MSc Leendert-Jan Karssemeijer	HG03.609	52596	L.Karssemeijer
MSc Joost van den Ende	HG03.609	52596	J.VanDenEnde
MSc Eduardo Monfardini Penteado	HG03.609	52596	E.Penteado
MSc Thanja Lamberts	HG03.609	52596	T.Lamberts
BSc Jolijn Onvlee	HG03.610		J.Onvlee

Other people at Theoretical Chemistry

Onderwijs

Molecular Modelling

Postal address
Radboud University Nijmegen
IMM - Faculty of Science
P.O. Box 9010
6500 GL Nijmegen
The Netherlands

Visiting address
Huygens building
Heyendaalseweg 135
6525 AJ Nijmegen
The Netherlands

E-mail address
H.Cuppen_at_science.ru.nl
Telephone:
+31-24-3653035

Personal details

• Name: Dr. H. M. (Herma) Cuppen
• Date and place of birth: 17/06/1977 in Nijmegen
• Nationality: Dutch

Scientific and educational experience

01/02/2011

Tenure track researcher at the Institute of Molecules and Materials

01/10/2009-30/09/2010

Postdoctoral researcher at the Leiden Observatory, extention previous position

01/10/2009-30/09/2009

Postdoctoral VENI researcher at the Leiden Observatory, Leiden University on Ïnterstellar physics on the rocks; Monte-Carlo simulations of ice mantles"

01/09/2004-31/08/2006

Postdoctoral researcher at the Ohio State University with Prof. Eric Herbst

2000-2005

Doctorate at Radboud Universiteit Nijmegen (cum laude); title of thesis: Theory and simulations of crystal growth - Fundamental steps in morphology prediction -; Supervisor: Prof. Elias Vlieg

1995-2000

Doctoraal (Master's) in Chemistry at University of Nijmegen, specialization: Crystal Growth and Chemometrics

1989-1995

Gymnasium-VWO, Kandinsky College, Nijmegen (preparatory scientific schooling) exams in: Dutch, English, German, Ancient Greek, Mathematics-A, Mathematics-B, Physics, Chemistry and Biology

Prizes

1. Dutch Crystal Growth Award (Kristalgroeiprijs) 2005 for best PhD thesis in the field
2. Selected in BLVD top 100 of most promising women 2007

Research Funding

1. VIDI; role: PI;
2. ERC Starting Grant; role: PI; start date: 01/02/2011; end date: 31/01/2016
3. 1 PhD student in the Dutch Astrochemistry Network; role: co-supervisor;
4. Marie Curie ITN application for FP7 "Laboratory Astrochemical Surface Science In Europe" role: Investigator; start date: 01/02/2010; end date: 31/01/2014
5. VENI fellowship from the physics division of NWO (Dutch science organization); role: PI.; start date: 01/10/2006; end date: 30/09/2009; title:`Interstellar physics on the rocks; Monte-Carlo simulations of ice mantles'

Organisational experience and networks

1. Chair Scientific Organizing Committee of International Summerschool "Infrared Astronomy and Solid State Astrochemistry" to be held in 2012 in the Netherlands
2. Outreach coordinator ITN "Laboratory Astrochemical Surface Science In Europe"
3. Education coordinator Dutch Astrochemistry Network
4. Dutch representative to Working Group 2 (`Heterogeneous Chemistry') of EU COST Action CM0805 `The Chemical Cosmos: Astronomical Environments'
5. Member of the ISSI project 2007: "A new generation of databases for interstellar chemical modeling in preparation of Hershel Space Observatory (HSO) and Atacama Large Millimeter Array (ALMA)"
6. Chair Scientific Organizing Committee of International Meeting "Interstellar Surface: from Laboratory to Models" 6-10 October 2008, Leiden, Netherlands
7. Local Organizing Committee of Midwest Theory meeting, June 2006, Columbus, OH, USA

Referee activity

Referee for Astrophysical Journal Letters, Monthly Notices of the Royal Astronomical Society, Journal of Physical Chemistry, Surface Science, Journal of Crystal Growth, CrystEngComm, Physica Status Solidi, and Geochimica et Cosmochimica Acta.

Teaching experience

1. Lecturer at Nordic-NASA Summerschool on "Water, Ice and the Origin of Life in the Universe" (Iceland 2009)
2. Lecturer at Graduate Course for Theoretical Chemistry and Spectroscopy (Han-sur-Lesse, Belgium 2008)
3. Teaching assistent for multiple topics including "Statistical Thermodynamics", "Chemistry and Society" and "Computational Chemistry"
4. Supervision of several master (4) and graduate students (2)
5. "Pre-doctorale lerarenopleiding": Two months course on teaching chemistry to secondary school students including an internship.

Outreach activity

1. Member of `Spiegelbeeld' (`Mirror image') by VHTO (Dutch organization that promotes women/girls in technical professions)
2. "Pre-doctorale lerarenopleiding": Two months course on teaching chemistry to secondary school students including an internship.
3. Participation to Open Days.

List of invited talks and seminars

1. Seminar, FOM Institute Rijnhuizen, 19 November 2009 (Nieuwegein, The Netherlands)
2. Seminar, Eindhoven University of Technology, 15 October 2009 (Eindhoven, The Netherlands)
3. Seminar, Radboud University Nijmegen, 12 October 2009 (Nijmegen, The Netherlands)
4. Seminar, University of Nottingham, 18 September 2009 (Nottingham, United Kingdom)
5. Seminar, University of Leeds, 17 September 2009 (Leeds, United Kingdom)
6. Seminar, University of Manchester, 16 September 2009 (Manchester, United Kingdom)
7. Summer school Astrobiology, June-July 2009 (Iceland)
8. Winter school Theoretical Chemistry, December 2008 (Han-sur-Lesse, Belgium)
9. Seminar, Max Planck Institute for Astronomy (Heidelberg, Germany, Nov 10-12) Title: Surface processes on interstellar grains: linking laboratory data with models and observations
10. Ohio State University, 22 September 2009 (Columbus, OH, USA) Title: Kinetics of surface processes in interstellar environments
11. Seminar, Leiden Institute for Chemistry, June 4 (Leiden, Netherlands) Title: Kinetics of surface processes
12. ISSI team meeting for HSO and ALMA, 2-4 December 2008, (Bern, Switzerland). Titles: Overview Lorentz Center workshop and H₂ formation on stochastically heated grains
13. Interstellar Surfaces: from laboratory to models, 6-10 October 2008, (Leiden, Netherlands). Title: Microscopic simulations of grain surface chemistry
14. ISSI team meeting for HSO and ALMA, 7-10 January 2008, (Bern, Switzerland). Title: Uncertainties in stochastic simulations
15. Seminar, 30 October 2007, Universiteit Groningen (Groningen, Netherlands). Title: Monte Carlo Simulations of Interstellar Surface Chemistry;
16. New Astronomical Challenges for Surface Science, 13-15 June 2007, (Edinburgh, United Kingdom). Title: Monte Carlo Simulations of Water Ice
17. Seminar, 8 May 2007, Universität zu Koln (Cologne, Germany). Title: Monte Carlo Simulations of Interstellar Surface Chemistry
18. Seminar, 14 March 2007, Å rhus University (Å rhus, Denmark). Title: Monte Carlo Simulations of Interstellar Surface Chemistry
19. Molecular databases for Herschel, ALMA and SOFIA, Lorentz Center Leiden, 6-8 December 2006, Lorentz Center, (Leiden, The Netherlands). Title: Monte Carlo Studies of Surface Chemistry
20. Seminar, 22 May 2006, The Radiation Laboratory of the Notre Dame University (South Bend, USA). Title: Surface chemistry in space
21. Seminar, 17 February 2005, Radboud University Nijmegen, (Nijmegen, Netherlands). Title: Surface chemistry in interstellar clouds

Constructed by the Theoretical Chemistry Literature Database

1. Water formation by surface O₃ hydrogenation
   C. Romanzin, S. Ioppolo, H. M. Cuppen, E. F. van Dishoeck, and H. Linnartz
   J. Chem. Phys., 134, 084504 (2011)  [doi]  [adsabs]
2. Solid State Pathways towards Molecular Complexity in Space
   H. Linnartz, J.-B. Bossa, J. Bouwman, H. M. Cuppen, S. H. Cuylle, E. F. van Dishoeck, E. C. Fayolle, G. Fedoseev, G. W. Fuchs, S. Ioppolo, K. Isokoski, T. Lamberts, K. I. Oberg, C. Romanzin, E. Tenenbaum, and J. Zhen
   in: IAU Symposium, volume 280 of IAU Symposium, 390-404 (2011)  [doi]  [adsabs]
3. Surface formation of CO₂ ice at low temperatures
   S. Ioppolo, Y. van Boheemen, H. M. Cuppen, E. F. van Dishoeck, and H. Linnartz
   Mon. Not. R. Astron. Soc., 413, 2281 (2011)  [doi]  [adsabs]
4. Surface formation of HCOOH at low temperature
   S. Ioppolo, H. M. Cuppen, E. F. van Dishoeck, and H. Linnartz
   Mon. Not. R. Astron. Soc., 410, 1089 (2011)  [doi]  [adsabs]
5. Surface formation routes of interstellar molecules: hydrogenation reactions in simple ices
   S. Ioppolo, H. M. Cuppen, and H. Linnartz
   Rendiconti Lincei, 22, 211 (2011)  [doi]
6. Laboratory H₂O:CO₂ ice desorption data: entrapment dependencies and its parameterization with an extended three-phase model
   E. C. Fayolle, K. I. Oberg, H. M. Cuppen, R. Visser, and H. Linnartz
   Astron. Astrophys., 529, A74 (2011)  [doi]  [adsabs]
7. CO ice mixed with CH₃OH: the answer to the non-detection of the 2152 cm^-1 band?
   H. M. Cuppen, E. M. Penteado, K. Isokoski, N. van der Marel, and H. Linnartz
   Mon. Not. R. Astron. Soc., 417, 2809 (2011)  [doi]  [adsabs]
8. Modelling of surface chemistry on an inhomogeneous interstellar grain
   H. M. Cuppen and R. T. Garrod
   Astron. Astrophys., 529, A151 (2011)  [doi]  [adsabs]
9. Photochemistry of polycyclic aromatic hydrocarbons in cosmic water ice. II. Near UV/VIS spectroscopy and ionization rates
   J. Bouwman, H. M. Cuppen, M. Steglich, L. J. Allamandola, and H. Linnartz
   Astron. Astrophys., 529, A46 (2011)  [doi]  [adsabs]
10. Molecular dynamics simulations of D₂O ice photodesorption
    C. Arasa, S. Andersson, H. M. Cuppen, E. F. van Dishoeck, and G. J. Kroes
    J. Chem. Phys., 134, 164503 (2011)  [doi]  [arXiv:1105.1079]  [adsabs]
11. Reaction Networks for Interstellar Chemical Modelling: Improvements and Challenges
    V. Wakelam, I. W. M. Smith, E. Herbst, J. Troe, W. Geppert, H. Linnartz, K. Oberg, E. Roueff, M. Agúndez, P. Pernot, H. M. Cuppen, J. C. Loison, and D. Talbi
    Space Sci. Rev., 156, 13 (2010)  [doi]  [arXiv:1011.1184]  [adsabs]
12. Methanol maps of low-mass protostellar systems. I. The Serpens molecular core
    L. E. Kristensen, E. F. van Dishoeck, T. A. van Kempen, H. M. Cuppen, C. Brinch, J. K. Jørgensen, and M. R. Hogerheijde
    Astron. Astrophys., 516, A57 (2010)  [doi]  [arXiv:1004.2217]  [adsabs]
13. Water formation at low temperatures by surface O₂ hydrogenation I: characterization of ice penetration
    S. Ioppolo, H. M. Cuppen, C. Romanzin, E. F. van Dishoeck, and H. Linnartz
    Phys. Chem. Chem. Phys., 12, 12065 (2010)  [doi]  [arXiv:1009.5272]  [adsabs]
14. H₂ reformation in post-shock regions
    H. M. Cuppen, L. E. Kristensen, and E. Gavardi
    Mon. Not. R. Astron. Soc., 406, L11 (2010)  [doi]  [arXiv:1005.1847]  [adsabs]
15. Water formation at low temperatures by surface O₂ hydrogenation II: the reaction network
    H. M. Cuppen, S. Ioppolo, C. Romanzin, and H. Linnartz
    Phys. Chem. Chem. Phys., 12, 12077 (2010)  [doi]  [arXiv:1009.5273]  [adsabs]
16. Photochemistry of the PAH pyrene in water ice: the case for ion-mediated solid-state astrochemistry
    J. Bouwman, H. M. Cuppen, A. Bakker, L. J. Allamandola, and H. Linnartz
    Astron. Astrophys., 511, A33 (2010)  [doi]  [arXiv:0911.1750]  [adsabs]
17. Molecular dynamics simulations of the ice temperature dependence of water ice photodesorption
    C. Arasa, S. Andersson, H. M. Cuppen, E. F. van Dishoeck, and G.-J. Kroes
    J. Chem. Phys., 132, 184510 (2010)  [doi]  [arXiv:1005.3617]  [adsabs]
18. Quantification of segregation dynamics in ice mixtures
    K. I. Oberg, E. C. Fayolle, H. M. Cuppen, E. F. van Dishoeck, and H. Linnartz
    Astron. Astrophys., 505, 183 (2009)  [doi]  [arXiv:0907.3948]  [adsabs]
19. A kinetic Monte Carlo study of desorption of H₂ from graphite (0 0 0 1)
    E. Gavardi, H. M. Cuppen, and L. Hornekaer
    Chem. Phys. Lett., 477, 285 (2009)  [doi]  [adsabs]
20. Hydrogenation reactions in interstellar CO ice analogues. A combined experimental/theoretical approach
    G. W. Fuchs, H. M. Cuppen, S. Ioppolo, C. Romanzin, S. E. Bisschop, S. Andersson, E. F. van Dishoeck, and H. Linnartz
    Astron. Astrophys., 505, 629 (2009)  [doi]  [adsabs]
21. Microscopic simulation of methanol and formaldehyde ice formation in cold dense cores
    H. M. Cuppen, E. F. van Dishoeck, E. Herbst, and A. G. G. M. Tielens
    Astron. Astrophys., 508, 275 (2009)  [doi]  [arXiv:0911.0283]  [adsabs]
22. Real-Time Optical Spectroscopy of Vacuum Ultraviolet Irradiated Pyrene:H₂O Interstellar Ice
    J. Bouwman, D. M. Paardekooper, H. M. Cuppen, H. Linnartz, and L. J. Allamandola
    Astrophys. J., 700, 56 (2009)  [doi]  [arXiv:0906.1513]  [adsabs]
23. Laboratory Evidence for Efficient Water Formation in Interstellar Ices
    S. Ioppolo, H. M. Cuppen, C. Romanzin, E. F. van Dishoeck, and H. Linnartz
    Astrophys. J., 686, 1474 (2008)  [doi]  [arXiv:0807.0129]  [adsabs]
24. Kinetic Monte Carlo studies of hydrogen abstraction from graphite
    H. M. Cuppen and L. Hornekaer
    J. Chem. Phys., 128, 174707 (2008)  [doi]  [arXiv:0807.0108]  [adsabs]
25. Formation of alcohols on ice surfaces
    H. M. Cuppen, G. W. Fuchs, I. Ioppolo, S. E. Bisschop, K. I. Oberg, E. F. van Dishoeck, and H. Linnartz
    in: IAU Symposium, edited by S. Kwok and S. Sandford, volume 251 of IAU Symposium, 377-382 (2008)  [doi]  [adsabs]
26. Solid state astrophysics and -chemistry four questions- four answers
    H. Linnartz, K. Acharyya, Z. Awad, S. E. Bisschop, S. Bottinelli, J. Bouwman, H. M. Cuppen, G. W. Fuchs, S. Ioppolo, K. I. Oberg, and E. F. van Dishoeck
    in: Molecules in Space and Laboratory (2007)  [adsabs]
27. Steps on surfaces in modeling crystal growth
    M. A. Deij, H. M. Cuppen, H. Meekes, and E. Vlieg
    Cryst. Growth Des., 7, 1936 (2007)  [doi]
28. Simulation of the Formation and Morphology of Ice Mantles on Interstellar Grains
    H. M. Cuppen and E. Herbst
    Astrophys. J., 668, 294 (2007)  [doi]  [arXiv:arXiv:0707.2744]  [adsabs]
29. Monte Carlo Studies of Surface Chemistry
    H. Cuppen and E. Herbst
    in: Molecules in Space and Laboratory (2007)  [adsabs]
30. Gas-grain chemistry in cold interstellar cloud cores with a microscopic Monte Carlo approach to surface chemistry
    Q. Chang, H. M. Cuppen, and E. Herbst
    Astron. Astrophys., 469, 973 (2007)  [doi]  [arXiv:0704.2704]  [adsabs]
31. Interstellar Chemistry Special Feature: Monte Carlo studies of surface chemistry and nonthermal desorption involving interstellar grains
    E. Herbst and H. M. Cuppen
    Proc. Natl. Acad. Sci. USA, 103, 12257 (2006)  [doi]  [adsabs]
32. Monte Carlo simulations of H₂ formation on stochastically heated grains
    H. M. Cuppen, O. Morata, and E. Herbst
    MNRAS, 367, 1757 (2006)  [doi]  [adsabs]
33. Birth-and-spread growth on the Kossel and a non-Kossel surface
    H. M. Cuppen, H. Meekes, W. J. P. van Enckevort, and E. Vlieg
    J. Cryst. Growth, 286, 188 (2006)  [doi]  [adsabs]
34. Effective rate coefficients for molecular hydrogen formation in diffuse interstellar clouds
    Q. Chang, H. M. Cuppen, and E. Herbst
    Astron. Astrophys., 458, 497 (2006)  [doi]  [adsabs]
35. Chemistry on interstellar grains
    E. Herbst, Q. Chang, and H. M. Cuppen
    J. Phys. Conf Series, 6, 18 (2005)  [doi]  [adsabs]
36. Monte Carlo simulations of H₂ formation on grains of varying surface roughness
    H. M. Cuppen and E. Herbst
    Mon. Not. R. Astron. Soc., 361, 565 (2005)  [doi]  [adsabs]
37. Molecular hydrogen formation on interstellar grains
    H. M. Cuppen and E. Herbst
    in: IAU Symposium, volume 235 of IAU Symposium, 34P (2005)  [adsabs]
38. Crystal structure and growth behaviour of aspartame form I-A
    H. M. Cuppen, G. Beurskens, S. Kozuka, K. Tsukamoto, J. M. M. Smits, R. de Gelder, R.F.P. Grimbergen, and H. Meekes
    Cryst. Growth Des., 5, 917 (2005)  [doi]
39. Continuous-time random-walk simulation of H₂ formation on interstellar grains
    Q. Chang, H. M. Cuppen, and E. Herbst
    Astron. Astrophys., 434, 599 (2005)  [doi]  [adsabs]
40. The needle-like morphology of aspartame
    H. M. Cuppen, A. R. T. van Eerd, and H. Meekes
    Cryst. Growth Des., 4, 989 (2004)  [doi]
41. Nonequilibrium free energy and kinetic roughening of steps on the Kossel (001) surface
    H. M. Cuppen, H. Meekes, W. J. P. van Enckevort, E. Vlieg, and H. J. F. Knops
    Phys. Rev. B, 69, 245404 (2004)  [doi]
42. Kink incorporation and step propagation in a non-Kossel model
    H. M. Cuppen, H. Meekes, W. J. P. van Enckevort, and E. Vlieg
    Surf. Sci., 571, 41 (2004)  [doi]
43. Kinetic roughening of Kossel and non-Kossel steps
    H. M. Cuppen, H. Meekes, W. J. P. van Enckevort, G. W. M. Vissers, and E. Vlieg
    Surf. Sci., 569, 33 (2004)  [doi]  [adsabs]
44. Screw dislocations on polycenes: a requirement for crystallisation
    H. M. Cuppen, W. S. Graswinckel, and H. Meekes
    Cryst. Growth Des., 4, 1351 (2004)  [doi]
45. The sensitivity of morphology prediction to the force field: paracetamol as an example
    H. M. Cuppen, G. M. Day, P. Verwer, and H. Meekes
    Cryst. Growth Des., 4, 1341 (2004)  [doi]
46. textscMonty: Monte Carlo crystal growth on any crystal structure in any crystallographic orientation application to fats
    S. X. M. Boerrigter, G. P. H. Josten, J. van de Streek, F. F. A. Hollander, J. Los, H. M. Cuppen, P. Bennema, and H. Meekes
    J. Phys. Chem. A, 108, 5894 (2004)  [doi]
47. Crystal growth and morphology: new developments in an integrated Hartman-Perdok - connected net - roughening transition theory, supported by computer simulations
    P. Bennema, H. Meekes, S. X. M. Boerrighter, H. M. Cuppen, M. A. Deij, J. van Eupen, P. Verwer, and E. Vlieg
    Cryst. Growth Des., 3, 905 (2004)  [doi]
48. Thickness-dependent ordening of water layers at the NaCl(100) surface
    J. Arsic, D. M. Kaminski, N. Radenovic, P. Poodt, W. S. Graswinckel, H. M. Cuppen, and E. Vlieg
    J. Chem. Phys., 120, 9720 (2004)  [doi]
49. The effects of kink correlations and the Monte Carlo probability scheme on the step structure and velocity
    H. M. Cuppen, H. Meekes, W. J. P. van Enckevort, P. Bennema, and E. Vlieg
    Surf. Sci, 525, 1 (2003)  [doi]
50. Kink density and propagation velocity of the [0 1 0] step on the Kossel (1 0 0) surface
    H. M. Cuppen, H. Meekes, E. van Veenendaal, W. J. P. van Enckevort, P. Bennema, M. F. Reedijk, J. Arsic, and E. Vlieg
    Surf. Sci, 506, 183 (2002)  [doi]
51. The growth morphology of monoclinic paracetamol predicted by Monte Carlo simulations
    H. M. Cuppen, S. X. M. Boerrigter, P. Bennema, and H. Meekes
    in: Proceedings 9th BIWIC, edited by J. Ulrich, page 5 (Unversitätsdruckerei Halle-Wittenberg, 2002)
52. Explanation for the supersaturation-dependent morphology of monoclinic paracetamol
    S. X. M. Boerrigter, H. M. Cuppen, J. N. Ristic, R. I.and Sherwood, P. Bennema, and H. Meekes
    Cryst. Growth Des., 2, 371 (2002)  [doi]
53. Monte Carlo simulation of wet chemical etching of silicon
    E. van Veenendaal, J. Suchtelen, P. van Beurden, H. M. Cuppen, W. J. P. van Enckevort, A. J. Nijdam, M. Elwenspoek, and E. Vlieg
    Sensor Mater, 13, 343 (2001)  [crossref]
54. A Monte Carlo study of etching in the presence of a mask junction
    E. van Veenendaal, H. M. Cuppen, W. J. P. van Enckevort, J. Suchtelen, A. J. Nijdam, M. Elwenspoek, and E. Vlieg
    J. Micromech. Microeng., 11, 409 (2001)  [doi]
55. Formation and stabilization of pyramidal etch hillocks on silicon 100 in anisotropic etchants: Experiments and Monte Carlo simulation
    A. J. Nijdam, E. van Veenendaal, H. M. Cuppen, J. van Suchtelen, M. L. Reed, J. G. E. Gardeniers, W. J. P. van Enckevort, E. Vlieg, and M. Elwenspoek
    J. Appl. Phys., 89, 4113 (2001)  [doi]
56. Theory of Diamond Etching
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