Førsteamanuensis i computational engineering
Competences:
Molecular Dynamics & Machine Learning
Rare Event Simulation Methods (reaction kinetics, adsorption)
Multi-scale modelling (from molecular simulations to continuous mechanics)
Method development of multiscale computational chemistry and machine learning.
Vervust, Wouter; Zhang, Daniel Tianhou; Ghysels, An; Roet, Sander Johannes Simon; van Erp, Titus Sebastiaan; Riccardi, Enrico
(2024)
PyRETIS 3: Conquering rare and slow events without boundaries.Journal of Computational Chemistry.
ISSN 0192-8651.
DOI: 10.1002/jcc.27319
Zhang, Daniel Tianhou; Riccardi, Enrico; van Erp, Titus Sebastiaan
(2023)
Enhanced path sampling using subtrajectory Monte Carlo moves.Journal of Chemical Physics.
ISSN 0021-9606.
DOI: 10.1063/5.0127249
Aarøen, Ola; Riccardi, Enrico; van Erp, Titus Sebastiaan; Sletmoen, Marit
(2022)
Thin film breakage in oil–in–water emulsions, a multidisciplinary study.Colloids and Surfaces A: Physicochemical and Engineering Aspects.
ISSN 0927-7757.
Volum 632.
Lervik, Anders; Svenum, Ingeborg-Helene; Wang, Zhaohui; Cabriolu, Raffaela; Riccardi, Enrico; Andersson, Stefan; van Erp, Titus Sebastiaan
(2022)
The role of pressure and defects in the wurtzite to rock salt transition in cadmium selenide.Physical Chemistry, Chemical Physics - PCCP.
ISSN 1463-9076.
Volum 24.
Hefte 14.
s.8378-8386.
DOI: 10.1039/d1cp05051f
Aarøen, Ola; Riccardi, Enrico; Sletmoen, Marit
(2021)
Exploring the effects of approach velocity on depletion force and coalescence in oil-in-water emulsions.RSC Advances.
ISSN 2046-2069.
Volum 11.
Hefte 15.
s.8730-8740.
DOI: 10.1039/d1ra00661
Riccardi, Enrico; Krämer, Andreas; van Erp, Titus Sebastiaan; Ghysels, An
(2021)
Permeation Rates of Oxygen through a Lipid Bilayer Using Replica Exchange Transition Interface Sampling.Journal of Physical Chemistry B.
ISSN 1520-6106.
Volum 125.
Hefte 1.
s.193-201.
Roet, Sander; Daub, Christopher David; Riccardi, Enrico
(2021)
Chemistrees: Data-Driven Identification of Reaction Pathways via Machine Learning.Journal of Chemical Theory and Computation.
ISSN 1549-9618.
Volum 17.
Hefte 10.
s.1-10.
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
(2021)
The immuneML ecosystem for machine learning analysis of adaptive immune receptor repertoires.Nature Machine Intelligence.
Volum 3.
Hefte 11.
s.936-944.
Aarøen, Ola; Kiær, Henrik; Riccardi, Enrico
(2020)
PyVisA: Visualization and Analysis of path sampling trajectories .Journal of Computational Chemistry.
ISSN 0192-8651.
Volum 2021.
Hefte 42.
s.435-446.
DOI: 10.1002/jcc.26467
Daub, Christopher David; Riccardi, Enrico; Hänninen, vesa; Halonen, Lauri
(2020)
Path sampling for atmospheric reactions: formic acid catalysed conversion of SO3+ H2O to H2SO4.PeerJ.
ISSN 2167-8359.
Volum 2.
Riccardi, Enrico; Tichelkamp, Thomas
(2019)
Calcium ion effects on the water/oil interface in the presence of anionic surfactants.Colloids and Surfaces A: Physicochemical and Engineering Aspects.
ISSN 0927-7757.
Volum 573.
s.246-254.
Riccardi, Enrico; Pantano, Sergio; Potestio, Raffaello
(2019)
Envisioning data sharing for the biocomputing community.Interface Focus.
ISSN 2042-8898.
Volum 9.
Hefte 3.
s.1-4.
Riccardi, Enrico; Van Mastbergen, Eva C; Navarre, William Wiley; Vreede, Jocelyne
(2019)
Predicting the mechanism and rate of H-NS binding to at-rich DNA.PLoS Computational Biology.
ISSN 1553-734X.
Volum 15.
Hefte 3.
Riccardi, Enrico; Lervik, Anders; Roet, Sander; Aarøen, Ola; van Erp, Titus Sebastiaan
(2019)
PyRETIS 2: An improbability drive for rare events.Journal of Computational Chemistry.
ISSN 0192-8651.
Volum 41.
Hefte 4.
DOI: 10.1002/jcc.26112
Moqadam, Mahmoud; Lervik, Anders; Riccardi, Enrico; Venkatraman, Vishwesh; Alsberg, Bjørn Kåre; van Erp, Titus Sebastiaan
(2018)
Local initiation conditions for water autoionization.Proceedings of the National Academy of Sciences of the United States of America.
ISSN 0027-8424.
Volum 115.
Hefte 20.
s.E4569-E4576.
Maslechko, Anastasiia; Verstraelen, Toon; van Erp, Titus Sebastiaan; Riccardi, Enrico
(2018)
Multiscale partial charge estimation on graphene for neutral, doped and charged flakes.Physical Chemistry, Chemical Physics - PCCP.
ISSN 1463-9076.
Volum 20.
Hefte 31.
s.20678-20687.
DOI: 10.1039/c8cp02799
Moqadam, Mahmoud; Riccardi, Enrico; Trinh, Thuat; Lervik, Anders; van Erp, Titus Sebastiaan
(2017)
Rare event simulations reveal subtle key steps in aqueous silicate condensation.Physical Chemistry, Chemical Physics - PCCP.
ISSN 1463-9076.
Volum 19.
Hefte 20.
s.13361-13371.
DOI: 10.1039/C7CP01268C
Lervik, Anders; Riccardi, Enrico; van Erp, Titus Sebastiaan
(2017)
PyRETIS: A well-done, medium-sized python library for rare events.Journal of Computational Chemistry.
ISSN 0192-8651.
Volum 38.
Hefte 28.
s.2439-2451.
DOI: 10.1002/jcc.24900
Riccardi, Enrico; Dahlen, Oda; van Erp, Titus Sebastiaan
(2017)
Fast Decorrelating Monte Carlo Moves for Efficient Path Sampling.The Journal of Physical Chemistry Letters.
ISSN 1948-7185.
Volum 8.
Hefte 18.
s.4456-4460.
van Erp, Titus Sebastiaan; Moqadam, Mahmoud; Riccardi, Enrico; Lervik, Anders
(2016)
Analyzing Complex Reaction Mechanisms Using Path Sampling.Journal of Chemical Theory and Computation.
ISSN 1549-9618.
Volum 12.
Hefte 11.
s.5398-5410.
Mehandzhiyski, Aleksandar Yordanov; Riccardi, Enrico; van Erp, Titus Sebastiaan; Trinh, Thuat; Grimes, Brian Arthur
(2015)
Ab Initio Molecular Dynamics Study on the Interactions between Carboxylate Ions and Metal Ions in Water.Journal of Physical Chemistry B.
ISSN 1520-6106.
Volum 119.
Hefte 33.
s.10710-10719.
Mehandzhiyski, Aleksandar Yordanov; Riccardi, Enrico; van Erp, Titus Sebastiaan; Koch, Henrik; Åstrand, Per-Olof; Trinh, Thuat; Grimes, Brian Arthur
(2015)
Density Functional Theory Study on the Interactions of Metal Ions with Long Chain Deprotonated Carboxylic Acids.Journal of Physical Chemistry A.
ISSN 1089-5639.
Volum 119.
Hefte 40.
s.10195-10203.
Moqadam, Mahmoud; Riccardi, Enrico; Trinh, Thuat; Åstrand, Per-Olof; van Erp, Titus Sebastiaan
(2015)
A test on reactive force fields for the study of silica dimerization reactions.Journal of Chemical Physics.
ISSN 0021-9606.
Volum 143:184113.
Hefte 18.
DOI: 10.1063/1.4935179
Riccardi, Enrico; Kovalchuk, Karina; Mehandzhiyski, Aleksandar Yordanov; Grimes, Brian Arthur
(2014)
Structure and Orientation of Tetracarboxylic Acids at Oil-Water Interfaces.Journal of Dispersion Science and Technology.
ISSN 0193-2691.
Volum 35.
Hefte 7.
s.1018-1030.
Riccardi, Enrico; Wang, JC; Liapis, AI
(2014)
Modeling the construction of polymeric adsorbent media: Effects of counter-ions on ligand immobilization and pore structure.Journal of Chemical Physics.
ISSN 0021-9606.
Volum 140.
Hefte 8.
DOI: 10.1063/1.4865910
Kovalchuk, Karina; Riccardi, Enrico; Grimes, Brian Arthur
(2014)
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.
ISSN 0888-5885.
Volum 53.
Hefte 29.
s.11691-11703.
DOI: 10.1021/ie501295k
Kovalchuk, Karina; Riccardi, Enrico; Grimes, Brian Arthur
(2014)
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.
ISSN 0888-5885.
Volum 53.
Hefte 29.
s.11704-11719.
DOI: 10.1021/ie501296
Kovalchuk, Karina; Riccardi, Enrico; Mehandzhiyski, Aleksandar Yordanov; Grimes, Brian Arthur
(2014)
Aggregates of poly-functional amphiphilic molecules in water and oil phases.Colloid Journal of the Russian Academy of Science.
ISSN 1061-933X.
Volum 76.
Hefte 5.
s.564-575.
Riccardi, Enrico; Böhm, Michael; Muller-Plathe, Florian
(2014)
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.
ISSN 1292-8941.
Volum 37.
Hefte 103.
Riccardi, Enrico; Carvalho, Barbara; Smeplass, Eli
(2020)
Career Within Academia, Survey Report: Embedded Discrimination and Career Tips for junior researchers.
Riccardi, Enrico; Carvalho, Barbara; Smeplass, Eli
(2021)
Postdoktorer blir utnyttet.
Forskerforum.
ISSN 0800-1715.
Volum 3.
Riccardi, Enrico; Carvalho, Barbara; Smeplass, Eli
(2020)
Karrieretrøbbel i akademia.
Khrono.no.
ISSN 1894-8995.
Riccardi, Enrico
(2018)
Kinetics of rare events: approaches and a new developed software.
NKS oslo;
2018-02-14 - 2018-02-15.
Riccardi, Enrico
(2018)
Kinetics of rare events: approaches and a new developed software.
NKS;
2018-02-14 - 2018-02-15.
Riccardi, Enrico; Lervik, Anders; van Erp, Titus Sebastiaan
(2018)
Multiscale resolution -in time- rare events simulations.
Multi-resolution simulations of intracellular processes ;
2018-08-24 - 2018-08-25.
Riccardi, Enrico
(2018)
Thin film breakage in coalescence.
NKS;
2018-10-16 - 2018-10-17.
van Erp, Titus Sebastiaan; Lervik, Anders; Riccardi, Enrico
(2018)
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.
Riccardi, Enrico
(2018)
Path sampling workshop via PyRETIS.
Helsinki Machine Learning School;
2018-12-11 - 2018-12-14.
van Erp, Titus Sebastiaan; Moqadam, Mahmoud; Lervik, Anders; Riccardi, Enrico; Trinh, Thuat
(2017)
Rare event simulations reveal subtle key steps in aqueous silicate condensation .
FEMEX-NL 2017;
2017-06-22 - 2017-06-25.
van Erp, Titus Sebastiaan; Lervik, Anders; Moqadam, Mahmoud; Riccardi, Enrico
(2017)
Concerted and stepwise autoionization of water .
ICCMSE 2017;
2017-04-21 - 2017-04-25.
van Erp, Titus Sebastiaan; Moqadam, Mahmoud; Riccardi, Enrico; Lervik, Anders
(2016)
Reaction coordinates from molecular trajectories.
Lorentz center WORKSHOP: Reaction coordinates from molecular trajectories;
2016-08-29 - 2016-09-02.
van Erp, Titus Sebastiaan; Riccardi, Enrico; Lervik, Anders
(2015)
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.
Riccardi, Enrico; van Erp, Titus Sebastiaan
(2015)
COALESCENCE IN LIQUID-LIQUID EMULSIONS.
Mainz Materials Simulation Days 2015 - Non-Equilibrium Processes in Soft Matter;
2015-06-10 - 2015-06-12.
Riccardi, Enrico; van Erp, Titus Sebastiaan
(2015)
New Monte Carlo moves for path sampling: 'stone skipping' and 'web throwing'.
CECAM-ESI Workshop;
2015-09-16 - 2015-09-18.
Riccardi, Enrico; van Erp, Titus Sebastiaan
(2015)
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.
Riccardi, Enrico; van Erp, Titus Sebastiaan
(2015)
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.
Mehandzhiyski, Aleksandar Yordanov; Riccardi, Enrico; van Erp, Titus Sebastiaan; Trinh, Thuat; Grimes, Brian Arthur
(2015)
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.
Riccardi, Enrico; Liapis, Athanasios
(2014)
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.
Mehandzhiyski, Aleksandar Yordanov; Kovalchuk, Karina; Riccardi, Enrico
(2014)
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.
