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Viser treff 1-23 av 23

2017
1 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 Untitled
 
2 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. s. 13361-13371
NTNU Untitled
 
3 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 Untitled
 
4 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 Untitled
 
2016
5 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 Untitled
 
6 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 Untitled
 
2015
7 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 Untitled
 
8 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 Untitled
 
9 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 Untitled
 
10 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 Untitled
 
11 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 Untitled
 
12 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 Untitled
 
13 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 Untitled
 
14 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 Untitled
 
15 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 Untitled
 
2014
16 Kovalchuk, Karina; Riccardi, Enrico; Grimes, Brian Arthur.
Multiscale modeling of mass transfer and adsorption in liquid-liquid dispersions. 1. Molecular dynamics simulations and interfacial tension prediction for a mixed monolayer of mono- and tetracarboxylic acids. Industrial & Engineering Chemistry Research 2014 ;Volum 53.(29) s. 11691-11703
NTNU Untitled
 
17 Kovalchuk, Karina; Riccardi, Enrico; Grimes, Brian Arthur.
Multiscale modeling of mass transfer and adsorption in liquid-liquid dispersions. 2. application to calcium naphthenate precipitation in oils containing mono- and tetracarboxylic acids. Industrial & Engineering Chemistry Research 2014 ;Volum 53.(29) s. 11704-11719
NTNU Untitled
 
18 Kovalchuk, Karina; Riccardi, Enrico; Mehandzhiyski, Aleksandar Yordanov; Grimes, Brian Arthur.
Aggregates of poly-functional amphiphilic molecules in water and oil phases. Colloid Journal of the Russian Academy of Science 2014 ;Volum 76.(5) s. 564-575
NTNU Untitled
 
19 Mehandzhiyski, Aleksandar Yordanov; Kovalchuk, Karina; Riccardi, Enrico.
Multiscale modeling of interfacial mass transport in liquid-liquid dispersions: application to calcium naphthenate precipitation in petroleum transport processes. Twentieth International Symposium on Surfactants in Solution (SIS 2014); 2014-06-22 - 2014-06-27
NTNU Untitled
 
20 Riccardi, Enrico; Böhm, Michael; Muller-Plathe, Florian.
Molecular dynamics approach to locally resolve elastic constants in nanocomposites and thin films: Mechanical description of solid-soft matter interphases via Young's modulus, Poisson's ratio and shear modulus. The European Physical Journal E : Soft matter 2014 ;Volum 37.(103) s. -
NTNU Untitled
 
21 Riccardi, Enrico; Kovalchuk, Karina; Mehandzhiyski, Aleksandar Yordanov; Grimes, Brian Arthur.
Structure and Orientation of Tetracarboxylic Acids at Oil-Water Interfaces. Journal of Dispersion Science and Technology 2014 ;Volum 35.(7) s. 1018-1030
NTNU Untitled
 
22 Riccardi, Enrico; Liapis, Athanasios.
Modeling the construction of polymeric adsorbent media: effects of counter-ions on ligand immobilization and pore structure. FEZA 2014 Dechema Leipzig; 2014-09-08 - 2014-09-11
NTNU Untitled
 
23 Riccardi, Enrico; Wang, JC; Liapis, AI.
Modeling the construction of polymeric adsorbent media: Effects of counter-ions on ligand immobilization and pore structure. Journal of Chemical Physics 2014 ;Volum 140.(8)
NTNU Untitled