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For å registrere i Cristin må du være vitenskapelig eller administrativt ansatt.
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2018
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| 1. | Riccardi, Enrico; Lervik, Anders; van Erp, Titus Sebastiaan. Multiscale resolution -in time- rare events simulations. Multi-resolution simulations of intracellular processes; 2018-08-24 - 2018-08-25 NTNU |
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| 2. | van Erp, Titus Sebastiaan. Transition path sampling approaches for the study of rare events. Advances in Computational Statistical Physics; 2018-09-17 - 2018-09-21 NTNU |
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| 3. | van Erp, Titus Sebastiaan; Lervik, Anders; Riccardi, Enrico. Reaching long time scales with PyRETIS: A well-done, medium-sized python library for rare events. SCM developers day; 2018-03-26 - 2018-03-29 NTNU |
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| 4. | Waage, Magnus Heskestad; Trinh, Thuat; van Erp, Titus Sebastiaan. Diffusion of gas mixtures in the sI hydrate structure. Journal of Chemical Physics 2018 ;Volum 148.(21) s. 1-8 NTNU |
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2017
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| 5. | Cabriolu, Raffaela; Skjelbred, Kristin Marie; Bolhuis, Peter G; van Erp, Titus Sebastiaan. Foundations and latest advances in replica exchange transition interface sampling. Journal of Chemical Physics 2017 ;Volum 147.(15) s. - NTNU |
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| 6. | Lervik, Anders; Riccardi, Enrico; van Erp, Titus Sebastiaan. PyRETIS: A well-done, medium-sized python library for rare events. Journal of Computational Chemistry 2017 ;Volum 38.(28) s. 2439-2451 NTNU |
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| 7. | Moqadam, Mahmoud; Riccardi, Enrico; Trinh, Thuat; Lervik, Anders; van Erp, Titus Sebastiaan. Rare event simulations reveal subtle key steps in aqueous silicate condensation. Physical Chemistry, Chemical Physics - PCCP 2017 ;Volum 19.(20) s. 13361-13371 NTNU |
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| 8. | Riccardi, Enrico; Dahlen, Oda; van Erp, Titus Sebastiaan. Fast Decorrelating Monte Carlo Moves for Efficient Path Sampling. Journal of Physical Chemistry Letters 2017 ;Volum 8.(18) s. 4456-4460 NTNU |
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| 9. | van Erp, Titus Sebastiaan. From Transition Path Sampling (TPS) to Replica Exchange Transition Interface Sampling (RETIS): Theory, Applications and some demonstration using the PyRETIS program. Lorentz Center; 2017-08-14 - 2017-08-15 NTNU |
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| 10. | van Erp, Titus Sebastiaan; Lervik, Anders; Moqadam, Mahmoud; Riccardi, Enrico. Concerted and stepwise autoionization of water. ICCMSE 2017; 2017-04-21 - 2017-04-25 NTNU |
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| 11. | van Erp, Titus Sebastiaan; Moqadam, Mahmoud; Lervik, Anders; Riccardi, Enrico; Trinh, Thuat. Rare event simulations reveal subtle key steps in aqueous silicate condensation. FEMEX-NL 2017; 2017-06-22 - 2017-06-25 NTNU |
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2016
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| 12. | Aarøen, Ola. Path sampling study of proton transfer reactions using coupled cluster based molecular dynamics. : NTNU, IKJ 2016 103 s. NTNU |
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| 13. | Moqadam, Mahmoud. Mechanistic Study of Chemical Reactions Using Path Sampling. : Skipnes Kommunikasjon as 2016 (ISBN 978+82+326+2070+8) 160 s. NTNU |
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| 14. | van Erp, Titus Sebastiaan. Replica Exchange Transition Interface Sampling: The Latest Method Developments and Applications using Ab Initio Molecular Dynamics. American Chemical Society National Meeting, March 13-17, San Diego, USA; 2016-03-13 - 2016-03-17 NTNU |
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| 15. | van Erp, Titus Sebastiaan; Moqadam, Mahmoud; Riccardi, Enrico; Lervik, Anders. Analyzing Complex Reaction Mechanisms Using Path Sampling. Journal of Chemical Theory and Computation 2016 ;Volum 12.(11) s. 5398-5410 NTNU |
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| 16. | van Erp, Titus Sebastiaan; Moqadam, Mahmoud; Riccardi, Enrico; Lervik, Anders. Reaction coordinates from molecular trajectories. Lorentz center WORKSHOP: Reaction coordinates from molecular trajectories; 2016-08-29 - 2016-09-02 NTNU |
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2015
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| 17. | Dahlen, Oda; van Erp, Titus Sebastiaan. Mesoscopic modeling of DNA denaturation rates: Sequence dependence and experimental comparison. From trajectories to reaction coordinates: making sense of molecular simulation data; 2015-09-16 - 2015-09-18 NTNU |
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| 18. | Dahlen, Oda; van Erp, Titus Sebastiaan. Mesoscopic modeling of DNA denaturation rates: Sequence dependence and experimental comparison. Journal of Chemical Physics 2015 ;Volum 142.(23) s. - NTNU |
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| 19. | Lervik, Anders; van Erp, Titus Sebastiaan. Gluing Potential Energy Surfaces with Rare Event Simulations. Journal of Chemical Theory and Computation 2015 ;Volum 11.(6) s. 2440-2450 NTNU |
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| 20. | Lervik, Anders; van Erp, Titus Sebastiaan. Gluing potential energy surfaces with rare event simulations. CECAM Workshop - From trajectories to reaction coordinates: making sense of molecular simulation data; 2015-09-16 - 2015-09-18 NTNU |
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| 21. | Lervik, Anders; van Erp, Titus Sebastiaan. Gluing potential energy surfaces with rare event simulations. Mainz Materials Simulation Days 2015; 2015-06-10 - 2015-06-12 NTNU |
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| 22. | Lervik, Anders; van Erp, Titus Sebastiaan. Gluing potential energy surfaces with rare event simulations. Årsmøte NKS; 2015-06-29 - 2015-06-30 NTNU |
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| 23. | Mehandzhiyski, Aleksandar Yordanov; Riccardi, Enrico; van Erp, Titus Sebastiaan; Koch, Henrik; Åstrand, Per-Olof; Trinh, Thuat; Grimes, Brian Arthur. Density Functional Theory Study on the Interactions of Metal Ions with Long Chain Deprotonated Carboxylic Acids. Journal of Physical Chemistry A 2015 ;Volum 119.(40) s. 10195-10203 NTNU |
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| 24. | Mehandzhiyski, Aleksandar Yordanov; Riccardi, Enrico; van Erp, Titus Sebastiaan; Trinh, Thuat; Grimes, Brian Arthur. Ab initio molecular dynamics study on the interactions between propanoate ion and metal ions in water. Twentieth International Workshop on Quantum Systems in Chemistry, Physics and Biology; 2015-09-14 - 2015-09-20 NTNU |
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| 25. | Mehandzhiyski, Aleksandar Yordanov; Riccardi, Enrico; van Erp, Titus Sebastiaan; Trinh, Thuat; Grimes, Brian Arthur. Ab Initio Molecular Dynamics Study on the Interactions between Carboxylate Ions and Metal Ions in Water. Journal of Physical Chemistry B 2015 ;Volum 119.(33) s. 10710-10719 NTNU |
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| 26. | Moqadam, Mahmoud; Riccardi, Enrico; Trinh, Thuat; Åstrand, Per-Olof; van Erp, Titus Sebastiaan. A test on reactive force fields for the study of silica dimerization reactions. Journal of Chemical Physics 2015 ;Volum 143:184113.(18) NTNU |
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| 27. | Moqadam, Mahmoud; van Erp, Titus Sebastiaan. A Computational Study of Silica Dimerization Reaction. Mainz Materials Simulation Days 2015 - Non-Equilibrium Processes in Soft Matter; 2015-06-10 - 2015-06-12 NTNU |
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| 28. | Moqadam, Mahmoud; van Erp, Titus Sebastiaan. Reactive Born-Oppenheimer Molecular Dynamic via Rare Event Method. From trajectories to reaction coordinates: making sense of molecular simulation data; 2015-09-16 - 2015-09-18 NTNU |
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| 29. | Riccardi, Enrico; van Erp, Titus Sebastiaan. COALESCENCE IN LIQUID-LIQUID EMULSION: Rare Events method to study Thin Film Breakage. Annual Meeting in Quantum and Computational Chemistry in Bergen; 2015-06-29 - 2015-06-30 NTNU |
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| 30. | Riccardi, Enrico; van Erp, Titus Sebastiaan. COALESCENCE IN LIQUID-LIQUID EMULSIONS. Mainz Materials Simulation Days 2015 - Non-Equilibrium Processes in Soft Matter; 2015-06-10 - 2015-06-12 NTNU |
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| 31. | Riccardi, Enrico; van Erp, Titus Sebastiaan. COALESCENCE -THIN FILM BREAKAGE MECHANISM- A STUDY BASED ON MOLECULAR DYNAMIC SIMULATION AND RARE EVENT APPROACH. ECCE10+ECAB3+EPIC5 congress; 2015-09-27 - 2015-10-01 NTNU |
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| 32. | Riccardi, Enrico; van Erp, Titus Sebastiaan. New Monte Carlo moves for path sampling: 'stone skipping' and 'web throwing'. CECAM-ESI Workshop; 2015-09-16 - 2015-09-18 NTNU |
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| 33. | Skjelbred, Kristin Marie; Andersson, Stefan; Åstrand, Per-Olof; van Erp, Titus Sebastiaan; Støvneng, Jon Andreas. Reduction of chromium oxide by methane: Density functional theory studies. Pacifichem; 2015-12-15 - 2015-12-20 NTNU SINTEF |
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| 34. | Trinh, Thuat; Bedeaux, Dick; Kjelstrup, Signe; van Erp, Titus Sebastiaan; Grande, Carlos Adolfo. Finding equilibrium constants for CO2 and CH4 adsorption on activated carbon. The 13th Joint European Thermodynamics Conference, JETC2015; 2015-05-20 - 2015-05-22 NTNU SINTEF |
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| 35. | Trinh, Thuat; Kjelstrup, Signe; van Erp, Titus Sebastiaan; Waage, Magnus Heskestad. FREE ENERGY OF CO2 AND CH4 DIFFUSION IN HYDRATE. The 8th Trondheim CCS Conference; 2015-06-16 - 2015-06-18 NTNU |
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| 36. | Trinh, Thuat; van Erp, Titus Sebastiaan; Bedeaux, Dick; Kjelstrup, Signe; Grande, Carlos Adolfo. A procedure to find thermodynamic equilibrium constants for CO2 and CH4 adsorption on activated carbon. Physical Chemistry, Chemical Physics - PCCP 2015 ;Volum 17.(12) s. 8223-8230 NTNU SINTEF |
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| 37. | Trinh, Thuat; Waage, Magnus Heskestad; van Erp, Titus Sebastiaan; Kjelstrup, Signe. Low barriers for hydrogen diffusion in sII clathrate. Physical Chemistry, Chemical Physics - PCCP 2015 ;Volum 17.(21) s. 13808-13812 NTNU |
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| 38. | Trinh, Thuat; Waage, Magnus Heskestad; van Erp, Titus Sebastiaan; Kjelstrup, Signe. Multi scale modeling of gas hydrate transport. Nano@NTNU Symposium; 2015-11-11 - 2015-11-11 NTNU |
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| 39. | van Erp, Titus Sebastiaan. ICCRAM SEMINAR: Reaction path sampling using rare event simulation techniques. ICCRAM SEMINAR; 2015-11-10 - 2015-11-10 NTNU |
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| 40. | van Erp, Titus Sebastiaan. Simulating Rare Events in Equilibrium and Non-Equilibrium Systems. Mainz Materials Simulation Days at the Max Planck Institute; 2015-06-10 - 2015-06-12 NTNU |
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| 41. | van Erp, Titus Sebastiaan; Riccardi, Enrico; Lervik, Anders. A new approach to analyze path ensembles. From trajectories to reaction coordinates: making sense of molecular simulation data, CECAM workshop at the Erwin Schrodinger Institute in Vienna; 2015-09-16 - 2015-09-18 NTNU |
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| 42. | Wilhelmsen, Øivind; Brandslet, Steinar; van Erp, Titus Sebastiaan. Norske forskere med store oppdagelser om nanopartikler. Teknisk ukeblad [Internett] 2015-04-23 ENERGISINT NTNU |
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| 43. | Wilhelmsen, Øivind; Trinh, Thuat; Kjelstrup, Signe; van Erp, Titus Sebastiaan; Bedeaux, Dick. Heat and mass transfer across interfaces in complex nanogeometries. Physical Review Letters 2015 ;Volum 114.(6) NTNU |
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| 44. | Wilhelmsen, Øivind; van Erp, Titus Sebastiaan; Brandslet, Steinar. Store oppdagelser om små partikler. Gemini [Internett] 2015-02-23 NTNU |
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2014
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| 45. | Bueno-Perez, Rocio; Martin-Calvo, Ana; Gomez-Alvarez, Paula; Gutiérrez-Sevillano, Juan J.; Merkling, Patrick J.; Vlugt, Thijs J.H.; van Erp, Titus Sebastiaan; Dubbeldam, D; Calero, Sofia. Enantioselective adsorption of ibuprofen and lysine in metal–organic frameworks. Chemical Communications 2014 ;Volum 50.(74) s. 10849-10852 NTNU |
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| 46. | Martin-Calvo, Ana; Calero, Sofia; Martens, Johan A.; van Erp, Titus Sebastiaan. Enantiomeric Adsorption of Lactic Acid Mixtures in Achiral Zeolites. Journal of Physical Chemistry C 2014 ;Volum 118.(27) s. 14991-14997 NTNU |
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| 47. | Trinh, Thuat; Bedeaux, Dick; Kjelstrup, Signe; van Erp, Titus Sebastiaan; Nagel, Henrik Rojas; Holvik, Egil. Thermodynamics of CO2 adsorbed on a graphite surface. Lorentz Workshop: Nanothermodynamics: For Equilibrium and Non-Equilibrium, Leiden, Netherlands; 2014-12-01 - 2014-12-05 NTNU |
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| 48. | van Erp, Titus Sebastiaan. On the relation between the Langmuir and thermodynamic flux equations. Lorentz workshop: Nanothermodynamics, For Equilibrium and Non-Equilibrium; 2014-12-01 - 2014-12-05 NTNU |
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| 49. | van Erp, Titus Sebastiaan. Reaction rate calculation using path sampling: pitfalls and opportunities. Telluride Research Center, Colorado, USA; 2014-07-07 - 2014-07-11 NTNU |
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| 50. | van Erp, Titus Sebastiaan; Trinh, Thuat; Kjelstrup, Signe; Glavatskiy, Kirill. On the relation between the Langmuir and thermodynamic flux equations. Frontiers in Physics 2014 ;Volum 36.(1) s. - NTNU |
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