Sondre Kvalvåg Schnell
73412047
45275463
Kjemi 2, 104, Gløshaugen
Om
Sondre Kvalvåg Schnell works as Professor at the Department of Materials Science and Engineering, where he is working with atomistic simulations of nano-systems and materials for energy storage. He has been associated with NTNU as an associate professor since 2016, and has been working primarily with the development of computational methods, as well as understanding the thermodynamics of nano-scale systems.
Background
Sondre Kvalvåg Schnell (b. 1984) has a Master of Science in Technology from NTNU (2009) and a Ph.D. from Delft University of Technology in the Netherlands (2013).
Since 2011 he has published around 50 scientific articles in peer-review journals, in addition to co-authored a book fokused on nanothermodynamics. He teaches severel master courses, and gives a course in Materials Thermodynamics for PhD-students. He has been the main advisor for eight Master students, as well as the main advisor for three PhD-students that have defended their thesis. In addition, he has co-advised three other PhD-students that have defended their thesis. At the moment he is co-advision one PhD-student, and the main advisor for one PhD-student.
Research-interests
- Materials chemistry and fundamental thermodynamic properties of materials
- Thermodynamic properties of small systems, and systems far from the thermodynamic limit
- Transport of ions and solvents in battery systems
- Matal interfaces in battery systems
Forskning
Publikasjoner
2024
-
Kjelstrup, Signe;
Bedeaux, Dick;
Schnell, Sondre Kvalvåg.
(2024)
Commentaries on Nanothermodynamics.
InterPore Journal
Vitenskapelig artikkel
-
Bedeaux, Dick;
Kjelstrup, Signe;
Schnell, Sondre Kvalvåg.
(2024)
Nanothermodynamics: Theory And Applications.
World Scientific
World Scientific
Fagbok
-
Gullbrekken, Øystein;
Gunnarshaug, Astrid Fagertun;
Lervik, Anders;
Kjelstrup, Signe;
Schnell, Sondre Kvalvåg.
(2024)
Effect of the Ion, Solvent, and Thermal Interaction Coefficients on Battery Voltage.
Journal of the American Chemical Society
Vitenskapelig artikkel
2023
-
Kjelstrup, Signe Helene;
Gunnarshaug, Astrid Fagertun;
Gullbrekken, Øystein;
Schnell, Sondre Kvalvåg;
Lervik, Anders.
(2023)
Transport coefficients for ion and solvent coupling. The case of the lithium-ion battery electrolyte.
Journal of Chemical Physics
Vitenskapelig artikkel
-
Adnan, Mohammed Mostafa;
Kroyan, Arpenik;
Srivastava, Chaman;
Grammatikos, Sotirios;
Glaum, Julia;
Ese, Marit-Helen Glomm.
(2023)
Theoretical and Experimental Determination of Thermomechanical Properties of Epoxy-SiO2 Nanocomposites.
ChemPhysChem
Vitenskapelig artikkel
-
Gullbrekken, Øystein;
Røe, Ingeborg Treu;
Selbach, Sverre Magnus;
Schnell, Sondre Kvalvåg.
(2023)
Charge Transport in Water-NaCl Electrolytes with Molecular Dynamics Simulations.
Journal of Physical Chemistry B
Vitenskapelig artikkel
-
Gullbrekken, Øystein;
Schnell, Sondre Kvalvåg.
(2023)
Coupled ion transport in concentrated PEO-LiTFSI polymer electrolytes.
New Journal of Chemistry
Vitenskapelig artikkel
2022
-
Hadler-Jacobsen, Jacob;
Schnell, Sondre Kvalvåg.
(2022)
The Importance of Stacking and Coordination for Li, Na, and Mg Diffusion and Intercalation in Ti<inf>3</inf>C<inf>2</inf>T<inf>2</inf> MXene.
Advanced Materials Interfaces
Vitenskapelig artikkel
-
Røe, Ingeborg Treu;
Schnell, Sondre Kvalvåg.
(2022)
Local surface crystal structure fluctuation on Li, Na and Mg metal anodes.
Molecular Physics
Vitenskapelig artikkel
-
Bråten, Vilde;
Zhang, Daniel Tianhou;
Hammer, Morten;
Aasen, Ailo;
Schnell, Sondre Kvalvåg;
Wilhelmsen, Øivind.
(2022)
Equation of state for confined fluids.
Journal of Chemical Physics
Vitenskapelig artikkel
-
Rauter, Michael Tobias;
Kjelstrup, Signe;
Schnell, Sondre Kvalvåg;
Wilhelmsen, Øivind.
(2022)
Fluid transport through nanoporous media in the presence of phase transitions.
NTNU
Doktorgradsavhandling
-
Bråten, Vilde;
Schnell, Sondre Kvalvåg;
Wilhelmsen, Øivind.
(2022)
Fundamental Aspects of Thermodynamics of Small Systems Investigated Through Molecular Simulations and Theoretical Descriptions.
NTNU-Trykk
Doktorgradsavhandling
-
Simon, Jean-Marc;
Krüger, Peter;
Schnell, Sondre Kvalvåg;
Vlugt, Thijs J.H.;
Kjelstrup, Signe;
Bedeaux, Dick.
(2022)
Kirkwood–Buff integrals: From fluctuations in finite volumes to the thermodynamic limit.
Journal of Chemical Physics
Vitenskapelig artikkel
2021
-
Rauter, Michael Tobias;
Schnell, Sondre K.;
Kjelstrup, Signe.
(2021)
Cassie-Baxter and Wenzel States and the Effect of Interfaces on Transport Properties across Membranes.
Journal of Physical Chemistry B
Vitenskapelig artikkel
-
Rauter, Michael Tobias;
Schnell, Sondre Kvalvåg;
Hafskjold, Bjørn;
Kjelstrup, Signe Helene.
(2021)
Thermo-osmotic pressure and resistance to mass transport in a vapor-gap membrane.
Physical Chemistry, Chemical Physics - PCCP
Vitenskapelig artikkel
-
Hadler-Jacobsen, Jacob;
Fagerli, Frode Håskjold;
Kaland, Henning;
Schnell, Sondre Kvalvåg.
(2021)
Stacking Sequence, Interlayer Bonding, Termination Group Stability and Li/Na/Mg Diffusion in MXenes.
ACS Materials Letters
Vitenskapelig artikkel
-
Hashemi, Sayed Ebrahim;
Lien, Kristian Myklebust;
Hillestad, Magne;
Schnell, Sondre Kvalvåg;
Austbø, Bjørn.
(2021)
Thermodynamic Insight in Design of Methanation Reactor with
Water Removal Considering Nexus between CO2 Conversion
and Irreversibilities.
Energies
Vitenskapelig artikkel
-
Bråten, Vilde;
Bedeaux, Dick;
Wilhelmsen, Øivind;
Schnell, Sondre Kvalvåg.
(2021)
Small Size Effects in Open and Closed Systems: What Can We Learn from Ideal Gases about Systems with Interacting Particles?.
Journal of Chemical Physics
Vitenskapelig artikkel
-
Røe, Ingeborg Treu;
Schnell, Sondre Kvalvåg.
(2021)
Slow surface diffusion on Cu substrates in Li metal batteries.
Journal of Materials Chemistry A
Vitenskapelig artikkel
-
Strøm, Bjørn André;
Bedeaux, Dick;
Schnell, Sondre Kvalvåg.
(2021)
Adsorption of an Ideal Gas on a Small Spherical Adsorbent.
Nanomaterials
Vitenskapelig artikkel
-
Bråten, Vilde;
Wilhelmsen, Øivind;
Schnell, Sondre Kvalvåg.
(2021)
Chemical Potential Differences in the Macroscopic Limit from Fluctuations in Small Systems.
Journal of Chemical Information and Modeling
Vitenskapelig artikkel
2020
-
Kaland, Henning;
Hadler-Jacobsen, Jacob;
Fagerli, Frode Håskjold;
Wagner, Nils Peter;
Wang, Zhaohui;
Selbach, Sverre Magnus.
(2020)
Are MXenes Suitable as Cathode Materials for Rechargeable Mg Batteries?.
Sustainable Energy & Fuels
Vitenskapelig artikkel
-
Røe, Ingeborg Treu;
Selbach, Sverre Magnus;
Schnell, Sondre Kvalvåg.
(2020)
Crystal Structure Influences Migration along Li and Mg Surfaces.
The Journal of Physical Chemistry Letters
Vitenskapelig artikkel
-
Dawass, Noura;
Krüger, Peter;
Schnell, Sondre Kvalvåg;
Moultos, Othonas A.;
Economou, Ioannis;
Vlugt, Thijs J.H..
(2020)
Kirkwood–Buff Integrals Using Molecular Simulation: Estimation of Surface Effects.
Nanomaterials
Vitenskapelig artikkel
-
Hashemi, Sayed Ebrahim;
Lien, Kristian Myklebust;
Schnell, Sondre Kvalvåg;
Austbø, Bjørn.
(2020)
Thermodynamic analysis of different methanation reactors for biogas upgrading.
Computer-aided chemical engineering
Vitenskapelig artikkel
-
Kaland, Henning;
Hadler-Jacobsen, Jacob;
Fagerli, Frode Håskjold;
Wagner, Nils Peter;
Schnell, Sondre Kvalvåg;
Wiik, Kjell.
(2020)
Dipentamethylene thiuram tetrasulfide-based cathodes for rechargeable magnesium batteries.
ACS Applied Energy Materials
Vitenskapelig artikkel
-
Rauter, Michael Tobias;
Galteland, Olav;
Erdos, Mate;
Moultos, Othonas A.;
Vlugt, Thijs J.H.;
Schnell, Sondre Kvalvåg.
(2020)
Two-Phase Equilibrium Conditions in Nanopores.
Nanomaterials
Vitenskapelig artikkel
2019
-
Hashemi, Sayed Ebrahim;
Lien, Kristian Myklebust;
Schnell, Sondre Kvalvåg;
Austbø, Bjørn.
(2019)
Optimization of an absorption-based biogas upgrading and liquefaction process.
Chemical Engineering Transactions
Vitenskapelig artikkel
-
Hashemi, Sayed Ebrahim;
Sarker, Shiplu;
Lien, Kristian Myklebust;
Schnell, Sondre Kvalvåg;
Austbø, Bjørn.
(2019)
Cryogenic vs. absorption biogas upgrading in liquefied biomethane production – An energy efficiency analysis.
Fuel
Vitenskapelig artikkel
-
Dawass, Noura;
Krüger, Peter;
Schnell, Sondre Kvalvåg;
Simon, Jean-Marc;
Vlugt, Thijs J.H..
(2019)
Kirkwood-Buff integrals from molecular simulation.
Fluid Phase Equilibria
Vitenskapelig artikkel
-
Vlaisavljevich, Bess;
Schnell, Sondre Kvalvåg;
Dzubak, Allison L.;
Lee, Kyuho;
Planas, Nora;
Neaton, Jeffrey B..
(2019)
Correction: CO<inf>2</inf> induced phase transitions in diamine-appended metal-organic frameworks (Chemical Science (2015) 6 (5177-5185) DOI: 10.1039/c5sc01828e).
Chemical Science
Errata
2018
-
Dawass, Noura;
Kruger, Pieter;
Schnell, Sondre Kvalvåg;
Bedeaux, Dick;
Kjelstrup, Signe;
Simon, Jean Marc.
(2018)
Finite-size effects of Kirkwood–Buff integrals from molecular simulations.
Molecular Simulation
Vitenskapelig artikkel
2017
-
Strøm, Bjørn;
Simon, Jean-Marc;
Schnell, Sondre Kvalvåg;
Kjelstrup, Signe;
He, Jianying;
Bedeaux, Dick.
(2017)
Size and shape effects on the thermodynamic properties of nanoscale volumes of water.
Physical Chemistry, Chemical Physics - PCCP
Vitenskapelig artikkel
-
Witherspoon, Velencia J.;
Yu, Lucy M.;
Jawahery, Sudi;
Braun, Efrem;
Moosavi, Seyed Mohamad;
Schnell, Sondre Kvalvåg.
(2017)
Translational and Rotational Motion of C8 Aromatics Adsorbed in Isotropic Porous Media (MOF-5): NMR Studies and MD Simulations.
Journal of Physical Chemistry C
Vitenskapelig artikkel
2016
-
Braun, Efrem;
Zurhelle, Alexander;
Thijssen, Wouter;
Schnell, Sondre Kvalvåg;
Lin, Li-Chiang;
Kim, Jihan.
(2016)
High-throughput computational screening of nanoporous adsorbents for CO<inf>2</inf> capture from natural gas.
Molecular Systems Design & Engineering
Vitenskapelig artikkel
-
Kjelstrup, Signe Helene;
Skorpa, Ragnhild;
Schnell, Sondre Kvalvåg;
Bedeaux, Dick.
(2016)
Computing properties of the hydrogen dissociation reaction in and away from equilibrium.
Molecular Simulation
Vitenskapelig artikkel
2015
-
Vlaisavljevich, Bess;
Odoh, Samuel O.;
Schnell, Sondre Kvalvåg;
Dzubak, Allison L.;
Lee, Kyuho;
Planas, Nora.
(2015)
CO2 induced phase transitions in diamine-appended metal-organic frameworks.
Chemical Science
Vitenskapelig artikkel
-
Brunchi, Cristian C.;
Englebienne, Pablo;
Kramer, Herman J. M.;
Schnell, Sondre Kvalvåg;
Vlugt, Thijs J.H..
(2015)
Evaluating adsorbed-phase activity coefficient models using a 2D-lattice model.
Molecular Simulation
Vitenskapelig artikkel
-
Braun, Efrem;
Chen, Joseph J.;
Schnell, Sondre Kvalvåg;
Lin, Li-Chiang;
Reimer, Jeffrey A.;
Smit, Berend.
(2015)
Nanoporous materials can tune the critical point of a pure substance.
Angewandte Chemie International Edition
Vitenskapelig artikkel
-
McDonald, Thomas M.;
Mason, Jarad A.;
Kong, Xueqian;
Bloch, Eric D.;
Gygi, David;
Dani, Alessandro.
(2015)
Cooperative insertion of CO2 in diamine-appended metal-organic frameworks.
Nature
Vitenskapelig artikkel
-
Simon, Cory M.;
Mercado, Rocio;
Schnell, Sondre Kvalvåg;
Smit, Berend;
Haranczyk, Maciej.
(2015)
What Are the Best Materials To Separate a Xenon/Krypton Mixture?.
Chemistry of Materials
Vitenskapelig artikkel
2014
-
Schnell, Sondre Kvalvåg;
Skorpa, Ragnhild;
Bedeaux, Dick;
Kjelstrup, Signe;
Vlugt, Thijs J.H.;
Simon, Jean-Marc.
(2014)
Partial molar enthalpies and reaction enthalpies from equilibrium molecular dynamics simulation.
Journal of Chemical Physics
Vitenskapelig artikkel
2013
-
Krüger, Peter;
Schnell, Sondre Kvalvåg;
Bedeaux, Dick;
Kjelstrup, Signe;
Vlugt, Thijs;
Simon, Jean-Marc.
(2013)
Kirkwood-Buff Integrals for Finite Volumes.
The Journal of Physical Chemistry Letters
Vitenskapelig artikkel
2012
-
Skorpa, Ragnhild;
Voldsund, Mari;
Takla, Marit;
Schnell, Sondre Kvalvåg;
Bedeaux, Dick;
Kjelstrup, Signe.
(2012)
Assessing the coupled heat and mass transport of hydrogen through a palladium membrane.
Journal of Membrane Science
Vitenskapelig artikkel
-
Liu, Xin;
Martin-Calvo, Ana;
McGarrity, Erin;
Schnell, Sondre Kvalvåg;
Calero, S;
Simon, Jean-Marc.
(2012)
Fick Diffusion Coefficients in Ternary Liquid Systems from Equilibrium Molecular Dynamics Simulations.
Industrial & Engineering Chemistry Research
Vitenskapelig artikkel
2011
-
Schnell, Sondre Kvalvåg;
Liu, Xin;
Simon, Jean-Marc;
Bardow, Andrew;
Bedeaux, Dick;
Vlugt, Thijs.
(2011)
Calculating Thermodynamic Properties from Fluctuations at Small Scales.
Journal of Physical Chemistry B
Vitenskapelig artikkel
-
Garcia-Perez, E;
Schnell, Sondre Kvalvåg;
Castillo, JM;
Calero, S;
Kjelstrup, Signe;
Dubbeldam, D.
(2011)
External Surface Adsorption on Silicalite-1 Zeolite Studied by Molecular Simulation.
Journal of Physical Chemistry C
Vitenskapelig artikkel
Tidsskriftspublikasjoner
-
Kjelstrup, Signe;
Bedeaux, Dick;
Schnell, Sondre Kvalvåg.
(2024)
Commentaries on Nanothermodynamics.
InterPore Journal
Vitenskapelig artikkel
-
Gullbrekken, Øystein;
Gunnarshaug, Astrid Fagertun;
Lervik, Anders;
Kjelstrup, Signe;
Schnell, Sondre Kvalvåg.
(2024)
Effect of the Ion, Solvent, and Thermal Interaction Coefficients on Battery Voltage.
Journal of the American Chemical Society
Vitenskapelig artikkel
-
Kjelstrup, Signe Helene;
Gunnarshaug, Astrid Fagertun;
Gullbrekken, Øystein;
Schnell, Sondre Kvalvåg;
Lervik, Anders.
(2023)
Transport coefficients for ion and solvent coupling. The case of the lithium-ion battery electrolyte.
Journal of Chemical Physics
Vitenskapelig artikkel
-
Adnan, Mohammed Mostafa;
Kroyan, Arpenik;
Srivastava, Chaman;
Grammatikos, Sotirios;
Glaum, Julia;
Ese, Marit-Helen Glomm.
(2023)
Theoretical and Experimental Determination of Thermomechanical Properties of Epoxy-SiO2 Nanocomposites.
ChemPhysChem
Vitenskapelig artikkel
-
Gullbrekken, Øystein;
Røe, Ingeborg Treu;
Selbach, Sverre Magnus;
Schnell, Sondre Kvalvåg.
(2023)
Charge Transport in Water-NaCl Electrolytes with Molecular Dynamics Simulations.
Journal of Physical Chemistry B
Vitenskapelig artikkel
-
Gullbrekken, Øystein;
Schnell, Sondre Kvalvåg.
(2023)
Coupled ion transport in concentrated PEO-LiTFSI polymer electrolytes.
New Journal of Chemistry
Vitenskapelig artikkel
-
Hadler-Jacobsen, Jacob;
Schnell, Sondre Kvalvåg.
(2022)
The Importance of Stacking and Coordination for Li, Na, and Mg Diffusion and Intercalation in Ti<inf>3</inf>C<inf>2</inf>T<inf>2</inf> MXene.
Advanced Materials Interfaces
Vitenskapelig artikkel
-
Røe, Ingeborg Treu;
Schnell, Sondre Kvalvåg.
(2022)
Local surface crystal structure fluctuation on Li, Na and Mg metal anodes.
Molecular Physics
Vitenskapelig artikkel
-
Bråten, Vilde;
Zhang, Daniel Tianhou;
Hammer, Morten;
Aasen, Ailo;
Schnell, Sondre Kvalvåg;
Wilhelmsen, Øivind.
(2022)
Equation of state for confined fluids.
Journal of Chemical Physics
Vitenskapelig artikkel
-
Simon, Jean-Marc;
Krüger, Peter;
Schnell, Sondre Kvalvåg;
Vlugt, Thijs J.H.;
Kjelstrup, Signe;
Bedeaux, Dick.
(2022)
Kirkwood–Buff integrals: From fluctuations in finite volumes to the thermodynamic limit.
Journal of Chemical Physics
Vitenskapelig artikkel
-
Rauter, Michael Tobias;
Schnell, Sondre K.;
Kjelstrup, Signe.
(2021)
Cassie-Baxter and Wenzel States and the Effect of Interfaces on Transport Properties across Membranes.
Journal of Physical Chemistry B
Vitenskapelig artikkel
-
Rauter, Michael Tobias;
Schnell, Sondre Kvalvåg;
Hafskjold, Bjørn;
Kjelstrup, Signe Helene.
(2021)
Thermo-osmotic pressure and resistance to mass transport in a vapor-gap membrane.
Physical Chemistry, Chemical Physics - PCCP
Vitenskapelig artikkel
-
Hadler-Jacobsen, Jacob;
Fagerli, Frode Håskjold;
Kaland, Henning;
Schnell, Sondre Kvalvåg.
(2021)
Stacking Sequence, Interlayer Bonding, Termination Group Stability and Li/Na/Mg Diffusion in MXenes.
ACS Materials Letters
Vitenskapelig artikkel
-
Hashemi, Sayed Ebrahim;
Lien, Kristian Myklebust;
Hillestad, Magne;
Schnell, Sondre Kvalvåg;
Austbø, Bjørn.
(2021)
Thermodynamic Insight in Design of Methanation Reactor with
Water Removal Considering Nexus between CO2 Conversion
and Irreversibilities.
Energies
Vitenskapelig artikkel
-
Bråten, Vilde;
Bedeaux, Dick;
Wilhelmsen, Øivind;
Schnell, Sondre Kvalvåg.
(2021)
Small Size Effects in Open and Closed Systems: What Can We Learn from Ideal Gases about Systems with Interacting Particles?.
Journal of Chemical Physics
Vitenskapelig artikkel
-
Røe, Ingeborg Treu;
Schnell, Sondre Kvalvåg.
(2021)
Slow surface diffusion on Cu substrates in Li metal batteries.
Journal of Materials Chemistry A
Vitenskapelig artikkel
-
Strøm, Bjørn André;
Bedeaux, Dick;
Schnell, Sondre Kvalvåg.
(2021)
Adsorption of an Ideal Gas on a Small Spherical Adsorbent.
Nanomaterials
Vitenskapelig artikkel
-
Bråten, Vilde;
Wilhelmsen, Øivind;
Schnell, Sondre Kvalvåg.
(2021)
Chemical Potential Differences in the Macroscopic Limit from Fluctuations in Small Systems.
Journal of Chemical Information and Modeling
Vitenskapelig artikkel
-
Kaland, Henning;
Hadler-Jacobsen, Jacob;
Fagerli, Frode Håskjold;
Wagner, Nils Peter;
Wang, Zhaohui;
Selbach, Sverre Magnus.
(2020)
Are MXenes Suitable as Cathode Materials for Rechargeable Mg Batteries?.
Sustainable Energy & Fuels
Vitenskapelig artikkel
-
Røe, Ingeborg Treu;
Selbach, Sverre Magnus;
Schnell, Sondre Kvalvåg.
(2020)
Crystal Structure Influences Migration along Li and Mg Surfaces.
The Journal of Physical Chemistry Letters
Vitenskapelig artikkel
-
Dawass, Noura;
Krüger, Peter;
Schnell, Sondre Kvalvåg;
Moultos, Othonas A.;
Economou, Ioannis;
Vlugt, Thijs J.H..
(2020)
Kirkwood–Buff Integrals Using Molecular Simulation: Estimation of Surface Effects.
Nanomaterials
Vitenskapelig artikkel
-
Hashemi, Sayed Ebrahim;
Lien, Kristian Myklebust;
Schnell, Sondre Kvalvåg;
Austbø, Bjørn.
(2020)
Thermodynamic analysis of different methanation reactors for biogas upgrading.
Computer-aided chemical engineering
Vitenskapelig artikkel
-
Kaland, Henning;
Hadler-Jacobsen, Jacob;
Fagerli, Frode Håskjold;
Wagner, Nils Peter;
Schnell, Sondre Kvalvåg;
Wiik, Kjell.
(2020)
Dipentamethylene thiuram tetrasulfide-based cathodes for rechargeable magnesium batteries.
ACS Applied Energy Materials
Vitenskapelig artikkel
-
Rauter, Michael Tobias;
Galteland, Olav;
Erdos, Mate;
Moultos, Othonas A.;
Vlugt, Thijs J.H.;
Schnell, Sondre Kvalvåg.
(2020)
Two-Phase Equilibrium Conditions in Nanopores.
Nanomaterials
Vitenskapelig artikkel
-
Hashemi, Sayed Ebrahim;
Lien, Kristian Myklebust;
Schnell, Sondre Kvalvåg;
Austbø, Bjørn.
(2019)
Optimization of an absorption-based biogas upgrading and liquefaction process.
Chemical Engineering Transactions
Vitenskapelig artikkel
-
Hashemi, Sayed Ebrahim;
Sarker, Shiplu;
Lien, Kristian Myklebust;
Schnell, Sondre Kvalvåg;
Austbø, Bjørn.
(2019)
Cryogenic vs. absorption biogas upgrading in liquefied biomethane production – An energy efficiency analysis.
Fuel
Vitenskapelig artikkel
-
Dawass, Noura;
Krüger, Peter;
Schnell, Sondre Kvalvåg;
Simon, Jean-Marc;
Vlugt, Thijs J.H..
(2019)
Kirkwood-Buff integrals from molecular simulation.
Fluid Phase Equilibria
Vitenskapelig artikkel
-
Vlaisavljevich, Bess;
Schnell, Sondre Kvalvåg;
Dzubak, Allison L.;
Lee, Kyuho;
Planas, Nora;
Neaton, Jeffrey B..
(2019)
Correction: CO<inf>2</inf> induced phase transitions in diamine-appended metal-organic frameworks (Chemical Science (2015) 6 (5177-5185) DOI: 10.1039/c5sc01828e).
Chemical Science
Errata
-
Dawass, Noura;
Kruger, Pieter;
Schnell, Sondre Kvalvåg;
Bedeaux, Dick;
Kjelstrup, Signe;
Simon, Jean Marc.
(2018)
Finite-size effects of Kirkwood–Buff integrals from molecular simulations.
Molecular Simulation
Vitenskapelig artikkel
-
Strøm, Bjørn;
Simon, Jean-Marc;
Schnell, Sondre Kvalvåg;
Kjelstrup, Signe;
He, Jianying;
Bedeaux, Dick.
(2017)
Size and shape effects on the thermodynamic properties of nanoscale volumes of water.
Physical Chemistry, Chemical Physics - PCCP
Vitenskapelig artikkel
-
Witherspoon, Velencia J.;
Yu, Lucy M.;
Jawahery, Sudi;
Braun, Efrem;
Moosavi, Seyed Mohamad;
Schnell, Sondre Kvalvåg.
(2017)
Translational and Rotational Motion of C8 Aromatics Adsorbed in Isotropic Porous Media (MOF-5): NMR Studies and MD Simulations.
Journal of Physical Chemistry C
Vitenskapelig artikkel
-
Braun, Efrem;
Zurhelle, Alexander;
Thijssen, Wouter;
Schnell, Sondre Kvalvåg;
Lin, Li-Chiang;
Kim, Jihan.
(2016)
High-throughput computational screening of nanoporous adsorbents for CO<inf>2</inf> capture from natural gas.
Molecular Systems Design & Engineering
Vitenskapelig artikkel
-
Kjelstrup, Signe Helene;
Skorpa, Ragnhild;
Schnell, Sondre Kvalvåg;
Bedeaux, Dick.
(2016)
Computing properties of the hydrogen dissociation reaction in and away from equilibrium.
Molecular Simulation
Vitenskapelig artikkel
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Vlaisavljevich, Bess;
Odoh, Samuel O.;
Schnell, Sondre Kvalvåg;
Dzubak, Allison L.;
Lee, Kyuho;
Planas, Nora.
(2015)
CO2 induced phase transitions in diamine-appended metal-organic frameworks.
Chemical Science
Vitenskapelig artikkel
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Brunchi, Cristian C.;
Englebienne, Pablo;
Kramer, Herman J. M.;
Schnell, Sondre Kvalvåg;
Vlugt, Thijs J.H..
(2015)
Evaluating adsorbed-phase activity coefficient models using a 2D-lattice model.
Molecular Simulation
Vitenskapelig artikkel
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Braun, Efrem;
Chen, Joseph J.;
Schnell, Sondre Kvalvåg;
Lin, Li-Chiang;
Reimer, Jeffrey A.;
Smit, Berend.
(2015)
Nanoporous materials can tune the critical point of a pure substance.
Angewandte Chemie International Edition
Vitenskapelig artikkel
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McDonald, Thomas M.;
Mason, Jarad A.;
Kong, Xueqian;
Bloch, Eric D.;
Gygi, David;
Dani, Alessandro.
(2015)
Cooperative insertion of CO2 in diamine-appended metal-organic frameworks.
Nature
Vitenskapelig artikkel
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Simon, Cory M.;
Mercado, Rocio;
Schnell, Sondre Kvalvåg;
Smit, Berend;
Haranczyk, Maciej.
(2015)
What Are the Best Materials To Separate a Xenon/Krypton Mixture?.
Chemistry of Materials
Vitenskapelig artikkel
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Schnell, Sondre Kvalvåg;
Skorpa, Ragnhild;
Bedeaux, Dick;
Kjelstrup, Signe;
Vlugt, Thijs J.H.;
Simon, Jean-Marc.
(2014)
Partial molar enthalpies and reaction enthalpies from equilibrium molecular dynamics simulation.
Journal of Chemical Physics
Vitenskapelig artikkel
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Krüger, Peter;
Schnell, Sondre Kvalvåg;
Bedeaux, Dick;
Kjelstrup, Signe;
Vlugt, Thijs;
Simon, Jean-Marc.
(2013)
Kirkwood-Buff Integrals for Finite Volumes.
The Journal of Physical Chemistry Letters
Vitenskapelig artikkel
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Skorpa, Ragnhild;
Voldsund, Mari;
Takla, Marit;
Schnell, Sondre Kvalvåg;
Bedeaux, Dick;
Kjelstrup, Signe.
(2012)
Assessing the coupled heat and mass transport of hydrogen through a palladium membrane.
Journal of Membrane Science
Vitenskapelig artikkel
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Liu, Xin;
Martin-Calvo, Ana;
McGarrity, Erin;
Schnell, Sondre Kvalvåg;
Calero, S;
Simon, Jean-Marc.
(2012)
Fick Diffusion Coefficients in Ternary Liquid Systems from Equilibrium Molecular Dynamics Simulations.
Industrial & Engineering Chemistry Research
Vitenskapelig artikkel
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Schnell, Sondre Kvalvåg;
Liu, Xin;
Simon, Jean-Marc;
Bardow, Andrew;
Bedeaux, Dick;
Vlugt, Thijs.
(2011)
Calculating Thermodynamic Properties from Fluctuations at Small Scales.
Journal of Physical Chemistry B
Vitenskapelig artikkel
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Garcia-Perez, E;
Schnell, Sondre Kvalvåg;
Castillo, JM;
Calero, S;
Kjelstrup, Signe;
Dubbeldam, D.
(2011)
External Surface Adsorption on Silicalite-1 Zeolite Studied by Molecular Simulation.
Journal of Physical Chemistry C
Vitenskapelig artikkel
Bøker
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Bedeaux, Dick;
Kjelstrup, Signe;
Schnell, Sondre Kvalvåg.
(2024)
Nanothermodynamics: Theory And Applications.
World Scientific
World Scientific
Fagbok
Rapport
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Rauter, Michael Tobias;
Kjelstrup, Signe;
Schnell, Sondre Kvalvåg;
Wilhelmsen, Øivind.
(2022)
Fluid transport through nanoporous media in the presence of phase transitions.
NTNU
Doktorgradsavhandling
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Bråten, Vilde;
Schnell, Sondre Kvalvåg;
Wilhelmsen, Øivind.
(2022)
Fundamental Aspects of Thermodynamics of Small Systems Investigated Through Molecular Simulations and Theoretical Descriptions.
NTNU-Trykk
Doktorgradsavhandling
Undervisning
Emner
Formidling
2023
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Vitenskapelig foredragGullbrekken, Øystein; Gunnarshaug, Astrid Fagertun; Kjelstrup, Signe; Lervik, Anders; Schnell, Sondre Kvalvåg. (2023) The effect of ion, solvent and thermal interaction coefficients on battery voltage. The case of the lithium-ion battery electrolyte. InterPore 2023 , Edinburgh 2023-05-22 - 2023-05-25
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Vitenskapelig foredragGullbrekken, Øystein; Gunnarshaug, Astrid Fagertun; Kjelstrup, Signe; Lervik, Anders; Schnell, Sondre Kvalvåg. (2023) Ion transport in lithium-ion battery electrolytes. The effect of gradients on battery voltage. Norwegian NanoSymposium 2023 , Trondheim 2023-11-28 - 2023-11-29
2022
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PosterBråten, Vilde; Zhang, Daniel Tianhou; Hammer, Morten; Aasen, Ailo; Schnell, Sondre Kvalvåg; Wilhelmsen, Øivind. (2022) Equation of State for Confined Nanosystems. TU Graz 32nd European Symposium on Applied Thermodynamics 2022 , Graz 2022-07-17 - 2022-07-20
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PosterKroyan, Arpenik; Schnell, Sondre Kvalvåg. (2022) A comparison of atomistic force fields for dynamic RNA properties. Graz University of Technology 32nd European Symposium on Applied Thermodynamics 2022 , Graz 2022-07-17 - 2022-07-20
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Vitenskapelig foredragGullbrekken, Øystein; Schnell, Sondre Kvalvåg. (2022) Charge Transport Properties in Concentrated Polymer Electrolytes by Molecular Dynamics Simulations. NordBatt , Gøteborg 2022-10-26 - 2022-10-28
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PosterSchnell, Sondre Kvalvåg. (2022) Molecular Dynamics Simulations for RNA: Folding-Stretching Experiments. Materials Research Society Materials Research Society Fall Meeting and Exhibit , Boston USA 2022-11-27 - 2022-12-02
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PosterKroyan, Arpenik; Schnell, Sondre Kvalvåg. (2022) Molecular Dynamics Simulations for RNA: Folding-Stretching Experiments. Material Research Society Material Research Society Fall Meeting and Exhibit , Boston 2022-11-25 - 2022-12-03
2021
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Vitenskapelig foredragKroyan, Arpenik; Adnan, Mohammed Mostafa; Schnell, Sondre Kvalvåg; Einarsrud, Mari-Ann. (2021) Thermodynamic and dynamic properties of resin mixture with embedded SiO2 from Molecular Simulations . Faggruppen for Uorganisk kjemi og materialkjemi NKS-FUM , Oslo 2021-11-02 - 2021-11-03
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Vitenskapelig foredragBråten, Vilde; Zhang, Daniel Tianhou; Hammer, Morten; Aasen, Ailo; Schnell, Sondre Kvalvåg; Wilhelmsen, Øivind. (2021) Equation of State for Nanosystems . Norsk Kjemisk Selskap Norsk Kjemisk Selskap - Functional Inorganic Materials , Lillestrøm 2021-11-01 - 2021-11-02
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Vitenskapelig foredragRauter, Michael Tobias; Hafskjold, Bjørn; Schnell, Sondre Kvalvåg; Kjelstrup, Signe. (2021) Coupled Fluid Transport Through Vapor-Gap Membranes for use in Cleaning Contaminated Liquids. 14th International Meeting on Thermodiffusion 2021-05-25 - 2021-05-27
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Vitenskapelig foredragRauter, Michael Tobias; Hafskjold, Bjørn; Schnell, Sondre Kvalvåg; Kjelstrup, Signe. (2021) Coupled Fluid Transport Through Vapor-Gap Membranes for use in Cleaning Contaminated Liquids. 21st Symposium on Thermophysical Properties 2021-06-20 - 2021-06-25
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Vitenskapelig foredragKroyan, Arpenik; Adnan, Mohammed Mostafa; Schnell, Sondre Kvalvåg; Einarsrud, Mari-Ann. (2021) Thermodynamic and dynamic properties of resin mixture with embedded SiO2 from Molecular Simulations . National Institute of Standards and Technology Twenty-First Symposium on Thermophysical Properties , Boulder, CO 2021-06-20 - 2021-06-25
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Vitenskapelig foredragBråten, Vilde; Wilhelmsen, Øivind; Schnell, Sondre Kvalvåg. (2021) Chemical Potential Differences from Fluctuations in Small Systems. CECAM Recent progress in the statistical mechanics of solutions through Kirkwood-Buff integrals and related approaches , Dijon 2021-09-20 - 2021-09-22
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Vitenskapelig foredragBråten, Vilde; Zhang, Daniel Tianhou; Hammer, Morten; Aasen, Ailo; Schnell, Sondre Kvalvåg; Wilhelmsen, Øivind. (2021) Perturbation Theory Based Equation of State for Small Systems under Confinement. Twenty-First Symposium on Thermophysical Properties 2021-06-20 - 2021-06-26
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Vitenskapelig foredragBråten, Vilde; Zhang, Daniel Tianhou; Hammer, Morten; Aasen, Ailo; Schnell, Sondre Kvalvåg; Wilhelmsen, Øivind. (2021) Perturbation Theory for Fluids under Confinement. InterPore2021 2021-05-31 - 2021-06-04
2020
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PosterBråten, Vilde; Wilhelmsen, Øivind; Schnell, Sondre Kvalvåg. (2020) Thermodynamic Properties of Small Systems. Norsk Kjemisk Selskap 7th National Meeting on Inorganic and Materials Chemistry , Værnes 2020-02-13 -
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Vitenskapelig foredragBråten, Vilde; Wilhelmsen, Øivind; Schnell, Sondre Kvalvåg. (2020) Chemical Potential Differences in Small Systems . Materials Research Society Fall Meeting 2020 2020-11-27 - 2020-12-04
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Vitenskapelig foredragKaland, Henning; Hadler-Jacobsen, Jacob; Fagerli, Frode Håskjold; Wagner, Nils Peter; Schnell, Sondre Kvalvåg; Wiik, Kjell. (2020) A New Cathode Material for Rechargeable Magnesium Batteries - Dipentamethylene Thiuram Tetrasulfide (PMTT). 7th National Meeting on Inorganic and Materials Chemistry , Værnes, Trondheim 2020-02-13 - 2020-02-14
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Vitenskapelig foredragRøe, Ingeborg Treu; Selbach, Sverre Magnus; Schnell, Sondre Kvalvåg. (2020) Local Atomic and Electronic Structure's Influence on Migration Along Li and Mg Surfaces. MRS 2020 MRS Spring/fall Meeting , Boston 2020-11-27 - 2020-12-04
2019
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PosterHashemi, Sayed Ebrahim; Lien, Kristian Myklebust; Schnell, Sondre Kvalvåg; Austbø, Bjørn. (2019) Optimization of a Chemical Absorption Biogas Upgrading and Liquefaction Process. 22nd Conference Process Integration, Modelling and Optimisation for Energy Saving and Pollution Reduction , Crete 2019-10-20 - 2019-10-23
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Faglig foredragKaland, Henning; Fagerli, Frode Håskjold; Hadler-Jacobsen, Jacob; Boge, Lars-Arne Ø.; Schnell, Sondre Kvalvåg; Vullum-Bruer, Fride. (2019) MXenes As Sulfur Host Material for Magnesium-Sulfur Batteries. The Electrochemical Society 235th ECS Meeting , Dallas, Texas 2019-05-26 - 2019-05-30
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Vitenskapelig foredragBråten, Vilde; Wilhelmsen, Øivind; Schnell, Sondre Kvalvåg. (2019) Physical Validation of Properties of Small Grand Canonical Systems. PoreLab: NTNU-UiO Porous Media Laboratory International Workshop on Non-Equilibrium Thermodynamics in Porous Media- SK70 , NTNU, Trondheim 2019-08-29 - 2019-08-30
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PosterBråten, Vilde; Wilhelmsen, Øivind; Schnell, Sondre Kvalvåg. (2019) Thermodynamic Properties of Small Systems. NTNU Nano Workshop for Atomistic Modeling , NTNU, Trondheim 2019-08-16 -
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PosterHadler-Jacobsen, Jacob; Kaland, Henning; Fagerli, Frode Håskjold; Selbach, Sverre Magnus; Wang, Zhaohui; Schnell, Sondre Kvalvåg. (2019) How promising are Mg-batteries compared to Li-ion?. Nordbatt 2019 2019-09-25 -
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PosterKaland, Henning; Fagerli, Frode Håskjold; Hadler-Jacobsen, Jacob; Schnell, Sondre Kvalvåg; Vullum-Bruer, Fride; Grande, Tor. (2019) MXene-Sulfur Composite Cathode for Mg-S Batteries. Nordic Battery Conference (Nordbatt) 2019 , Copenhagen 2019-09-25 - 2019-09-27
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Vitenskapelig foredragSchnell, Sondre Kvalvåg. (2019) Mobility of Li metal surfaces. Nordbatt 2019 2019-09-25 - 2019-09-27
2018
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PosterKaland, Henning; Hadler-Jacobsen, Jacob; Schnell, Sondre Kvalvåg; Vullum-Bruer, Fride. (2018) Two-Dimensional Titanium Carbide (Ti2CTx) as Cathode Material for Mg-Ion Batteries. International Meeting on Lithium Batteries , Kyoto International Conference Center 2018-06-17 - 2018-06-22
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PosterKaland, Henning; Fagerli, Frode Håskjold; Hadler-Jacobsen, Jacob; Schnell, Sondre Kvalvåg; Vullum-Bruer, Fride. (2018) Exploring 2D MXenes as Cathode Material for Magnesium Batteries. Timini/NTNU Nanolab International Nanoscience Student Conference , Norwegian University of Science and Technology 2018-08-07 - 2018-08-10
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Vitenskapelig foredragRøe, Ingeborg Treu; Ervik, Åsmund; Wilhelmsen, Øivind; Schnell, Sondre Kvalvåg. (2018) Molecular dynamic simulations of unstable and metastable regions. University of Colorado Boulder Twentieth Symposium of Thermophysical Properties , Boulder, Colorado 2018-06-24 - 2018-06-29
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PosterSchnell, Sondre Kvalvåg; Selbach, Sverre Magnus. (2018) Density functional theory simulations of surface properties of lithium metal anodes. Nanotechnology program, NTNU INASCON 2018 , Trondheim 2018-08-07 - 2018-08-10
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PosterHashemi, Sayed Ebrahim; Sarker, Shiplu; Lien, Kristian Myklebust; Schnell, Sondre Kvalvåg; Austbø, Bjørn. (2018) Liquefied Biomethane as an Alternative Transportation Fuel. Organised by the Fuel and Energy Research Forum www.tferf.or 12th ECCRIA (The European Conference on Fuel and Energy Research and its Applications) , Cardiff University, Cardiff, Wales, UK 2018-09-05 - 2018-09-07
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Vitenskapelig foredragBedeaux, Dick; Strøm, Bjørn André; Schnell, Sondre Kvalvåg; Simon, Jean-Marc; Kjelstrup, Signe; He, Jianying. (2018) Size and shape effects on thermodynamic properties on nanoscale volumes of water. Department of Physics, University of Stutgart, Germany Visit , Stutgart, Germany 2018-02-05 - 2018-02-09
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Vitenskapelig foredragStrøm, Bjørn André; Simon, Jean-Marc; Schnell, Sondre Kvalvåg; Kjelstrup, Signe; He, Jianying; Bedeaux, Dick. (2018) Thermodynamics of nanoscale water systems . NIST SYMPOSIUM ON THERMOPHYSICAL PROPERTIES , Boulder 2018-06-24 - 2018-06-29
2017
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Faglig foredragStrøm, Bjørn; Schnell, Sondre Kvalvåg; Simon, Jean-Marc; He, Jianying; Bedeaux, Dick; Kjelstrup, Signe. (2017) Nanothermodynamics of water clusters. University of Bucharest 29th European Symposium on Applied Thermodynamics, ESAT , Bucharest 2017-05-18 - 2017-05-21
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Faglig foredragStrøm, Bjørn; Schnell, Sondre Kvalvåg; Simon, Jean-Marc; Jianying, He; Bedeaux, Dick; Kjelstrup, Signe. (2017) Size and shape effects on thermodynamic properties on nanoscale volumes of water. CECAM-FR-MOSER, University Pierre and Marie Curie CECAM Workshop Exploiting Finite Size Effects in Simulations , Paris 2017-04-18 - 2017-04-21
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Faglig foredragSchnell, Sondre Kvalvåg. (2017) Nanothermodynamics to bridge nano and mesoscopic scales. PoreLab, SFF Opening PoreLab , Oslo 2017-09-05 - 2017-09-08
2016
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Faglig foredragTrinh, Thuat; Schnell, Sondre Kvalvåg. (2016) Simulation of gas adsorption and separation in UTSA-16 MOF . Seminar at The Center for Innovative Materials and Architectures (INOMAR), HoChiMinh city, Vietnam 2016-06-24 - 2016-06-24
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Faglig foredragTrinh, Thuat; Nora, Meling; Bedeaux, Dick; Kjelstrup, Signe; Schnell, Sondre Kvalvåg. (2016) The Small System Method to compute thermodynamic data for 3D and 2D system. Collaborative Conference on 3D and Materials Research (CC3DMR) 2016-06-20 - 2016-06-24
2015
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Vitenskapelig foredragSchnell, Sondre Kvalvåg; Braun, Efrem; Chen, Joseph; Lin, Li-Chiang; Reimer, Jeffrey A.; Smit, Berend. (2015) Vapor-liquid coexistence in microporous systems. 19th Symposium on Thermophysical Properties 2015-06-21 - 2015-06-27
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Faglig foredragSchnell, Sondre Kvalvåg. (2015) Introduction to Molecular Simulation: MD and MC. Process and Energy Lab ISPT Course in Advanced Thermodynamics , Delft University of Technology 2015-06-09 - 2015-06-10
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Faglig foredragSchnell, Sondre Kvalvåg. (2015) Introduction to Non-equilibrium thermodynamics and applications. Process and Energy Lab ISPT Course in Advanced Thermodynamics , Delft University of Technology 2015-06-09 - 2015-06-10
2014
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Vitenskapelig foredragSchnell, Sondre Kvalvåg; Vlugt, Thijs J.H.; Simon, Jean-Marc; Bedeaux, Dick; Kjelstrup, Signe. (2014) Small Systems Thermodynamics to Determine Kirkwood-Buff Coefficients From Equilibrium Molecular Dynamics Simulations. Lorentz Center Nanothermodynamics: For Equilibrium and Non-Equilibrium , Leiden 2014-12-01 - 2014-12-05
2013
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Vitenskapelig foredragKjelstrup, Signe; Schnell, Sondre Kvalvåg; Vlugt, Thijs; Simon, Jean-Marc; Bedeaux, Dick. (2013) Bridging scales with thermodynamics: From nano to macro. Vientnamese National University 4th International Workshop on Nanotechnology and Application, Vietnam , Vung Tau 2013-11-14 - 2013-11-17
2012
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Vitenskapelig foredragKjelstrup, Signe; Liu, Xin; Schnell, Sondre Kvalvåg; Simon, Jean-Marc; Bedeaux, Dick; Bardow, Andrew. (2012) Connections between small and large systems' thermodynamics. University of Barcelona XXIII Sitges Conference, Spain: Understanding and Managing Randomness in Physics, Chemistry and Biology , Sitges (Barcelona) 2012-05-04 - 2012-06-08
2011
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Vitenskapelig foredragKjelstrup, Signe; Schnell, Sondre Kvalvåg; Simon, Jean-Marc; Vlugt, Thijs; Bedeaux, Dick. (2011) Thermodynamics at small scales. Chemitz University JETC11 Joint European Thermodynamics Conference , Chemitz 2011-06-27 - 2011-07-01
2009
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Vitenskapelig foredragInzoli, Isabella; Simon, Jean-Marc; Kvalvåg, Sondre Schnell; Kjelstrup, Signe. (2009) Membrane Transport of n-butane by a Temperature Gradient. Gas Technology Centre NTNU-SINTEF 1st Trondheim Gas Technology Conference , Trondheim 2009-10-21 - 2009-10-22