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.
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
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. 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; van Erp, Titus Sebastiaan; Sletmoen, Marit
(2022)
Thin film breakage in oil–in–water emulsions, a multidisciplinary study. Thin film breakage in oil–in–water emulsions, a multidisciplinary study.Colloids and Surfaces A: Physicochemical and Engineering Aspects.
ISSN 0927-7757.
Volum 632.
Aarøen, Ola; Riccardi, Enrico; Sletmoen, Marit
(2021)
Exploring the effects of approach velocity on depletion force and coalescence in oil-in-water emulsions. Exploring the effects of approach velocity on depletion force and coalescence in oil-in-water emulsions. 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
Roet, Sander; Daub, Christopher David; Riccardi, Enrico
(2021)
Chemistrees: Data-Driven Identification of Reaction Pathways via Machine Learning. Chemistrees: Data-Driven Identification of Reaction Pathways via Machine Learning. 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.
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.
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.
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
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. 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; 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; 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. 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. 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
Riccardi, Enrico; Dahlen, Oda; van Erp, Titus Sebastiaan
(2017)
Fast Decorrelating Monte Carlo Moves for Efficient Path Sampling. 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.
Lervik, Anders; Riccardi, Enrico; van Erp, Titus Sebastiaan
(2017)
PyRETIS: A well-done, medium-sized python library for rare events. 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
Moqadam, Mahmoud; Riccardi, Enrico; Trinh, Thuat; Lervik, Anders; van Erp, Titus Sebastiaan
(2017)
Rare event simulations reveal subtle key steps in aqueous silicate condensation. 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
van Erp, Titus Sebastiaan; Moqadam, Mahmoud; Riccardi, Enrico; Lervik, Anders
(2016)
Analyzing Complex Reaction Mechanisms Using Path Sampling. 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; 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
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.
Riccardi, Enrico; Kovalchuk, Karina; Mehandzhiyski, Aleksandar Yordanov; Grimes, Brian Arthur
(2014)
Structure and Orientation of Tetracarboxylic Acids at Oil-Water Interfaces. 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.
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. 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. 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; 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
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;
2018-02-14 - 2018-02-15.
Riccardi, Enrico
(2018)
Thin film breakage in coalescence.
NKS;
2018-10-16 - 2018-10-17.
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)
Kinetics of rare events: approaches and a new developed software.
NKS oslo;
2018-02-14 - 2018-02-15.
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; 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; 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; 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.
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; 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)
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.
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)
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 -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.
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.
