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Showing results 1-49 of 49

2024
1 Vervust, Wouter; Zhang, Daniel Tianhou; Ghysels, An; Roet, Sander Johannes Simon; van Erp, Titus Sebastiaan; Riccardi, Enrico.
PyRETIS 3: Conquering rare and slow events without boundaries. Journal of Computational Chemistry 2024
NTNU UIS Untitled
 
2023
2 Zhang, Daniel Tianhou; Riccardi, Enrico; van Erp, Titus Sebastiaan.
Enhanced path sampling using subtrajectory Monte Carlo moves. Journal of Chemical Physics 2023
NTNU UiO Untitled
 
2022
3 Aarøen, Ola; Riccardi, Enrico; van Erp, Titus Sebastiaan; Sletmoen, Marit.
Thin film breakage in oil–in–water emulsions, a multidisciplinary study. Colloids and Surfaces A: Physicochemical and Engineering Aspects 2022 ;Volume 632. p. 127808-
NTNU UiO Untitled
 
4 Lervik, Anders; Svenum, Ingeborg-Helene; Wang, Zhaohui; Cabriolu, Raffaela; Riccardi, Enrico; Andersson, Stefan; van Erp, Titus Sebastiaan.
The role of pressure and defects in the wurtzite to rock salt transition in cadmium selenide. Physical Chemistry, Chemical Physics - PCCP 2022 ;Volume 24.(14) p. 8378-8386
NTNU SINTEF UiO Untitled
 
2021
5 Aarøen, Ola; Riccardi, Enrico; Sletmoen, Marit.
Exploring the effects of approach velocity on depletion force and coalescence in oil-in-water emulsions. RSC Advances 2021 ;Volume 11.(15) p. 8730-8740
NTNU UiO Untitled
 
6 Pavlović, Milena; Scheffer, Lonneke; Motwani, Keshav; Kanduri, Chakravarthi; Kompova, Radmila; Vazov, Nikolay Aleksandrov; Waagan, Knut; Bernal, Fabian Leonardo Martinez; Costa, Alexandre Almeida; Corrie, Brian; Akbar, Rahmad; Al Hajj, Ghadi S.; Balaban, Gabriel; Brusko, Todd M.; Chernigovskaia, Mariia; Christley, Scott; Cowell, Lindsay G.; Frank, Robert; Grytten, Ivar; Gundersen, Sveinung; Haff, Ingrid Hobæk; Hovig, Eivind; Hsieh, Ping-Han; Klambauer, Günter; Kuijjer, Marieke L.; Lund-Andersen, Christin; Martini, Antonio; Minotto, Thomas; Pensar, Johan; Rand, Knut Dagestad; Riccardi, Enrico; Robert, Philippe Paul Auguste; Rocha, Artur; Slabodkin, Andrei; Snapkov, Igor; Sollid, Ludvig Magne; Titov, Dmytro; Weber, Cédric R.; Widrich, Michael; Yaari, Gur; Greiff, Victor; Sandve, Geir Kjetil Ferkingstad.
The immuneML ecosystem for machine learning analysis of adaptive immune receptor repertoires. Nature Machine Intelligence 2021 ;Volume 3.(11) p. 936-944
OUS UiO Untitled
 
7 Riccardi, Enrico; Carvalho, Barbara; Smeplass, Eli.
Postdoktorer blir utnyttet. Forskerforum 2021 ;Volume 3. p. 43-
UiO NTNU Untitled
 
8 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 ;Volume 125.(1) p. 193-201
NTNU Untitled
 
9 Roet, Sander; Daub, Christopher David; Riccardi, Enrico.
Chemistrees: Data-Driven Identification of Reaction Pathways via Machine Learning. Journal of Chemical Theory and Computation 2021 ;Volume 17.(10) p. 1-10
NTNU UiO Untitled
 
2020
10 Aarøen, Ola; Kiær, Henrik; Riccardi, Enrico.
PyVisA: Visualization and Analysis of path sampling trajectories. Journal of Computational Chemistry 2020 ;Volume 2021.(42) p. 435-446
NTNU Untitled
 
11 Daub, Christopher David; Riccardi, Enrico; Hänninen, vesa; Halonen, Lauri.
Path sampling for atmospheric reactions: formic acid catalysed conversion of SO3+ H2O to H2SO4. PeerJ 2020 ;Volume 2. p. e7-
NTNU Untitled
 
12 Riccardi, Enrico; Carvalho, Barbara; Smeplass, Eli.
Career Within Academia, Survey Report: Embedded Discrimination and Career Tips for junior researchers. : zenodo.org 2020 7 p.
NTNU Untitled
 
13 Riccardi, Enrico; Carvalho, Barbara; Smeplass, Eli.
Karrieretrøbbel i akademia. Khrono.no 2020
NTNU Untitled
 
2019
14 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 ;Volume 41.(4) p. -
NTNU Untitled
 
15 Riccardi, Enrico; Pantano, Sergio; Potestio, Raffaello.
Envisioning data sharing for the biocomputing community. Interface Focus 2019 ;Volume 9.(3) p. 1-4
NTNU Untitled
 
16 Riccardi, Enrico; Tichelkamp, Thomas.
Calcium ion effects on the water/oil interface in the presence of anionic surfactants. Colloids and Surfaces A: Physicochemical and Engineering Aspects 2019 ;Volume 573. p. 246-254
NTNU Untitled
 
17 Riccardi, Enrico; Van Mastbergen, Eva C; Navarre, William Wiley; Vreede, Jocelyne.
Predicting the mechanism and rate of H-NS binding to at-rich DNA. PLoS Computational Biology 2019 ;Volume 15.(3) p. -
NTNU Untitled
 
2018
18 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 ;Volume 20.(31) p. 20678-20687
NTNU Untitled
 
19 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 ;Volume 115.(20) p. E4569-E4576
NTNU Untitled
 
20 Riccardi, Enrico.
Kinetics of rare events: approaches and a new developed software. NKS oslo; 2018-02-14 - 2018-02-15
NTNU Untitled
 
21 Riccardi, Enrico.
Kinetics of rare events: approaches and a new developed software. NKS; 2018-02-14 - 2018-02-15
NTNU Untitled
 
22 Riccardi, Enrico.
Path sampling workshop via PyRETIS. Helsinki Machine Learning School; 2018-12-11 - 2018-12-14
NTNU Untitled
 
23 Riccardi, Enrico.
Thin film breakage in coalescence. NKS; 2018-10-16 - 2018-10-17
NTNU Untitled
 
24 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 Untitled
 
25 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 Untitled
 
2017
26 Lervik, Anders; Riccardi, Enrico; van Erp, Titus Sebastiaan.
PyRETIS: A well-done, medium-sized python library for rare events. Journal of Computational Chemistry 2017 ;Volume 38.(28) p. 2439-2451
NTNU Untitled
 
27 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 ;Volume 19.(20) p. 13361-13371
NTNU Untitled
 
28 Riccardi, Enrico; Dahlen, Oda; van Erp, Titus Sebastiaan.
Fast Decorrelating Monte Carlo Moves for Efficient Path Sampling. The Journal of Physical Chemistry Letters 2017 ;Volume 8.(18) p. 4456-4460
NTNU Untitled
 
29 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
 
30 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
31 van Erp, Titus Sebastiaan; Moqadam, Mahmoud; Riccardi, Enrico; Lervik, Anders.
Analyzing Complex Reaction Mechanisms Using Path Sampling. Journal of Chemical Theory and Computation 2016 ;Volume 12.(11) p. 5398-5410
NTNU Untitled
 
32 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
33 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 ;Volume 119.(40) p. 10195-10203
NTNU Untitled
 
34 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
 
35 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 ;Volume 119.(33) p. 10710-10719
NTNU Untitled
 
36 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 ;Volume 143:184113.(18)
NTNU Untitled
 
37 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
 
38 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
 
39 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
 
40 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
 
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 Untitled
 
2014
42 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 ;Volume 53.(29) p. 11691-11703
NTNU Untitled
 
43 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 ;Volume 53.(29) p. 11704-11719
NTNU Untitled
 
44 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 ;Volume 76.(5) p. 564-575
NTNU Untitled
 
45 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
 
46 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 ;Volume 37.(103) p. -
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47 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 ;Volume 35.(7) p. 1018-1030
NTNU Untitled
 
48 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
 
49 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 ;Volume 140.(8)
NTNU Untitled