Enrico Riccardi

Førsteamanuensis i computational engineering

Enrico Riccardi

Kontakt

E-post: enrico.riccardi@uis.no

Sted: E 301-B

Organisasjonsenhet

Det teknisk-naturvitenskapelige fakultet

Institutt for energiressurser

Kort om meg

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.

 

Publikasjoner

Vitenskapelige publikasjoner

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.

DOI: 10.1016/j.colsurfa.2021.127808

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.

DOI: 10.1021/acs.jpcb.0c09947

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.

DOI: 10.1021/acs.jctc.1c00458

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.

DOI: 10.1038/s42256-021-00413-z

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.

DOI: 10.7717/peerj-pchem.7

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.

DOI: 10.1016/j.colsurfa.2019.04.001

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.

DOI: 10.1098/rsfs.2019.0005

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.

DOI: 10.1371/journal.pcbi.1006845

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 (PNAS).

ISSN 0027-8424.

Volum 115.

Hefte 20.

s.E4569-E4576.

DOI: 10.1073/pnas.1714070115

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.

DOI: 10.1021/acs.jpclett.7b01617

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.

DOI: 10.1021/acs.jctc.6b00642

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.

DOI: 10.1021/acs.jpcb.5b05616

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.

DOI: 10.1021/acs.jpca.5b04136

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.

DOI: 10.1080/01932691.2013.826584

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.

DOI: 10.1134/S1061933X1405010X

Bøker og kapitler

Riccardi, Enrico; Carvalho, Barbara; Smeplass, Eli

(2020)

Career Within Academia, Survey Report: Embedded Discrimination and Career Tips for junior researchers.

Formidling

Riccardi, Enrico; Hiorth, Aksel

(2024)

MODULAR TEACHING MATERIAL DEVELOPMENT WITH STRUCTURED INTERACTIVE INFOGRAPHICS FOR LIFELONG LEARNING EDUCATION.

EDULEARN24;

2024-06-01 - 2024-06-03.

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.