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For å registrere i Cristin må du være vitenskapelig eller administrativt ansatt.
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2021
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| 1. | Riccardi, Enrico; Krämer, Andreas; van Erp, Titus Sebastiaan; Ghysels, An. Permeation Rates of Oxygen through a Lipid Bilayer Using Replica Exchange Transition Interface Sampling. Journal of Physical Chemistry B 2021 ;Volum 125.(1) s. 193-201 NTNU |
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2020
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| 2. | Dahlen, Oda; Lervik, Anders; Aarøen, Ola; Cabriolu, Raffaela; Lyng, Reidar; van Erp, Titus Sebastiaan. Teaching complex molecular simulation algorithms: Using self‐evaluation to tailor web‐based exercises at an individual level. Computer Applications in Engineering Education 2020 ;Volum 28.(4) s. 779-791 NTNU |
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| 3. | van Erp, Titus Sebastiaan. Studying water dissociation using Monte Carlo in path space. International Virtual Conference on New directions for modelling nanocrystal catalysts; 2020-07-07 - 2020-07-07 NTNU |
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2019
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| 4. | Dahlen, Oda. Simulating the unwinding of DNA.Method development, application and didactic dissemination.. : NTNU Grafisk senter 2019 (ISBN 978-82-326-3636-5) 132 s. NTNU |
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| 5. | Ok, Salim; Mahmoodinia, Mehdi; Rajasekaran, Navvamani; Sabti, Mohamed A.; Lervik, Anders; van Erp, Titus Sebastiaan; Cabriolu, Raffaela. Molecular Structure and Solubility Determination of Asphaltenes. Energy & Fuels 2019 ;Volum 33.(9) s. 8258-8270 NTNU |
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| 6. | Riccardi, Enrico; Lervik, Anders; Roet, Sander; Aarøen, Ola; van Erp, Titus Sebastiaan. PyRETIS 2: An improbability drive for rare events. Journal of Computational Chemistry 2019 ;Volum 41.(4) s. - NTNU |
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| 7. | Roet, Sander; van Erp, Titus Sebastiaan. Transition state based replica exchange interface sampling (TS-RETIS). NKS meeting; 2019-10-08 - 2019-10-09 NTNU |
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| 8. | van Erp, Titus Sebastiaan. Replica Exchange Transition Interface Sampling. Seminars at Ecole des Ponts ParisTech CERMICS & IBPC, Paris, France; 2019-12-19 - 2019-12-19 NTNU |
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| 9. | van Erp, Titus Sebastiaan. Transition Path Sampling methods. Theoretical Chemistry and Spectroscopy Han-sur-Lesse, Belgium; 2019-11-25 - 2019-11-29 NTNU |
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| 10. | van Erp, Titus Sebastiaan. Unraveling the mechanisms of chemical reactions using rare event simulation techniques. mini-symposium on computational techniques for Physics and Chemistry; 2019-05-22 - 2019-05-22 NTNU |
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2018
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| 11. | Marty-Roda, Marta; Dahlen, Oda; van Erp, Titus Sebastiaan; Cuesta-Lopez, Santiago. Improving the mesoscopic modeling of DNA denaturation dynamics. Physical Biology 2018 ;Volum 15.(6) s. - NTNU |
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| 12. | Maslechko, Anastasiia; Verstraelen, Toon; van Erp, Titus Sebastiaan; Riccardi, Enrico. Multiscale partial charge estimation on graphene for neutral, doped and charged flakes. Physical Chemistry, Chemical Physics - PCCP 2018 ;Volum 20.(31) s. 20678-20687 NTNU |
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| 13. | Moqadam, Mahmoud; Lervik, Anders; Riccardi, Enrico; Venkatraman, Vishwesh; Alsberg, Bjørn Kåre; van Erp, Titus Sebastiaan. Local initiation conditions for water autoionization. Proceedings of the National Academy of Sciences of the United States of America 2018 ;Volum 115.(20) s. E4569-E4576 NTNU |
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| 14. | 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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| 15. | Svenum, Ingeborg-Helene; Wang, Zhaohui; Lervik, Anders; Armstrong, Jeff; van Erp, Titus Sebastiaan; Andersson, Stefan. Modelling phase transformations in silicon materials. Norwegian Solar Cell Conference; 2018-05-02 - 2018-05-03 NTNU SINTEF |
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| 16. | van Erp, Titus Sebastiaan. Path sampling and machine learning to identify reaction triggers. ECAM State-of-the Art Workshop: Large scale activated event simulations; 2018-10-01 - 2018-10-03 NTNU |
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| 17. | van Erp, Titus Sebastiaan. Path sampling and machine learning to identify reaction triggers. Berkeley theoretical physics seminar series; 2018-11-15 - 2018-11-15 NTNU |
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| 18. | 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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| 19. | van Erp, Titus Sebastiaan. Unraveling the mechanisms of chemical reactions using rare event simulation with ab initio dynamics. Van Geuns Lectures; 2018-06-04 - 2018-06-04 NTNU |
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| 20. | 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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| 21. | 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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| 22. | 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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| 23. | 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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| 24. | 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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| 25. | Riccardi, Enrico; Dahlen, Oda; van Erp, Titus Sebastiaan. Fast Decorrelating Monte Carlo Moves for Efficient Path Sampling. The Journal of Physical Chemistry Letters 2017 ;Volum 8.(18) s. 4456-4460 NTNU |
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| 26. | 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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| 27. | 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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| 28. | 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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| 29. | 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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| 30. | 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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| 31. | 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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| 32. | 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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| 33. | 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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| 34. | 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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| 35. | 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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| 36. | 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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| 37. | 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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| 38. | 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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| 39. | 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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| 40. | 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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| 41. | 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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| 42. | 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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| 43. | 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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| 44. | 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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| 45. | 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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| 46. | 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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| 47. | 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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| 48. | 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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| 49. | 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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| 50. | 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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