Polarizable Force Field for Acetonitrile Based on the Single-Center Multipole Expansion von Myneni, Hemanadhan, Jónsson, Elvar Örn, Jónsson, Hannes, Dohn, Asmus Ougaard

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Polarizable Embedding with a Transferable H2O Potential Function I: Formulation and Tests on Dimer von Jónsson, Elvar Örn, Dohn, Asmus Ougaard, Jónsson, Hannes

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Transferable Potential Function for Flexible H2O Molecules Based on the Single-Center Multipole Expansion von Jónsson, Elvar Örn, Rasti, Soroush, Galynska, Marta, Meyer, Jörg, Jónsson, Hannes

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New Insights into the Volume Isotope Effect of Ice Ih from Polarizable Many-Body Potentials von Rasti, Soroush, Jónsson, Elvar Örn, Jónsson, Hannes, Meyer, Jörg

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Elastic Collision Based Dynamic Partitioning Scheme for Hybrid Simulations von Kirchhoff, Björn, Jónsson, Elvar Örn, Dohn, Asmus Ougaard, Jacob, Timo, Jónsson, Hannes

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GPAW: An open Python package for electronic structure calculations von Mortensen, Jens Jørgen, Larsen, Ask Hjorth, Kuisma, Mikael, Ivanov, Aleksei V., Taghizadeh, Alireza, Peterson, Andrew, Haldar, Anubhab, Dohn, Asmus Ougaard, Schäfer, Christian, Jónsson, Elvar Örn, Hermes, Eric D., Nilsson, Fredrik Andreas, Kastlunger, Georg, Levi, Gianluca, Jónsson, Hannes, Häkkinen, Hannu, Fojt, Jakub, Kangsabanik, Jiban, Sødequist, Joachim, Lehtomäki, Jouko, Heske, Julian, Enkovaara, Jussi, Winther, Kirsten Trøstrup, Dulak, Marcin, Melander, Marko M., Ovesen, Martin, Louhivuori, Martti, Walter, Michael, Gjerding, Morten, Lopez-Acevedo, Olga, Erhart, Paul, Warmbier, Robert, Würdemann, Rolf, Kaappa, Sami, Latini, Simone, Boland, Tara Maria, Bligaard, Thomas, Skovhus, Thorbjørn, Susi, Toma, Maxson, Tristan, Rossi, Tuomas, Chen, Xi, Schmerwitz, Yorick Leonard A., Schiøtz, Jakob, Olsen, Thomas, Jacobsen, Karsten Wedel, Thygesen, Kristian Sommer

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Direct Dynamics Studies of a Binuclear Metal Complex in Solution: The Interplay Between Vibrational Relaxation, Coherence, and Solvent Effects von Dohn, Asmus Ougaard, Jónsson, Elvar Örn, Kjær, Kasper Skov, van Driel, Tim Brandt, Nielsen, Martin Meedom, Jacobsen, Karsten Wedel, Henriksen, Niels Engholm, Møller, Klaus Braagaard

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Polarizable Embedding with a Transferable H2O Potential Function II: Application to (H2O) n Clusters and Liquid Water von Dohn, Asmus Ougaard, Jónsson, Elvar Örn, Jónsson, Hannes

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Folding of the cocaine aptamer studied by EPR and fluorescence spectroscopies using the bifunctional spectroscopic probe Ç von Cekan, Pavol, Jonsson, Elvar Örn, Sigurdsson, Snorri Th

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Towards an Optimal Gradient-dependent Energy Functional of the PZ-SIC Form von Jónsson, Elvar Örn, Lehtola, Susi, Jónsson, Hannes

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Transferable Potential Function for Flexible H 2 O Molecules Based on the Single-Center Multipole Expansion von Jónsson, Elvar Örn, Rasti, Soroush, Galynska, Marta, Meyer, Jörg, Jónsson, Hannes

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Polarizable Embedding with a Transferable H 2 O Potential Function I: Formulation and Tests on Dimer von Jónsson, Elvar Örn, Dohn, Asmus Ougaard, Jónsson, Hannes

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Polarizable Embedding with a Transferable H 2 O Potential Function II: Application to (H 2 O) n Clusters and Liquid Water von Dohn, Asmus Ougaard, Jónsson, Elvar Örn, Jónsson, Hannes

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Elastic Collision Based Dynamic Partitioning Scheme for Hybrid Simulations von Kirchhoff, Björn, Elvar Örn Jónsson, Asmus Ougaard Dohn, Jacob, Timo, Jónsson, Hannes

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GPAW: An open Python package for electronic-structure calculations von Mortensen, Jens Jørgen, Ask Hjorth Larsen, Kuisma, Mikael, Ivanov, Aleksei V, Taghizadeh, Alireza, Peterson, Andrew, Haldar, Anubhab, Asmus Ougaard Dohn, Schäfer, Christian, Elvar Örn Jónsson, Hermes, Eric D, Nilsson, Fredrik Andreas, Kastlunger, Georg, Levi, Gianluca, Jónsson, Hannes, Häkkinen, Hannu, Fojt, Jakub, Kangsabanik, Jiban, Sødequist, Joachim, Lehtomäki, Jouko, Heske, Julian, Enkovaara, Jussi, Winther, Kirsten Trøstrup, Dulak, Marcin, Melander, Marko M, Ovesen, Martin, Louhivuori, Martti, Walter, Michael, Gjerding, Morten, Lopez-Acevedo, Olga, Erhart, Paul, Warmbier, Robert, Würdemann, Rolf, Kaappa, Sami, Latini, Simone, Boland, Tara Maria, Bligaard, Thomas, Skovhus, Thorbjørn, Toma Susi, Maxson, Tristan, Rossi, Tuomas, Chen, Xi, Yorick Leonard A Schmerwitz, Schiøtz, Jakob, Olsen, Thomas, Karsten Wedel Jacobsen, Kristian Sommer Thygesen

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On the challenge of obtaining an accurate solvation energy estimate in simulations of electrocatalysis von Kirchhoff, Björn, Jónsson, Elvar Örn, Jacob, Timo, Jónsson, Hannes

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Advanced perturbation scheme for efficient polarizability computations von Nair, Anoop Ajaya Kumar, Bessner, Julian, Jacob, Timo, Jónsson, Elvar Örn

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Supporting data set for: On the challenge of obtaining an accurate solvation energy estimate in simulations of electrocatalysis von Kirchhoff, Björn, Jónsson, Elvar Örn, Jacob, Timo, Jónsson, Hannes

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On the challenge of obtaining an accurate solvation energy estimate in simulations of electrocatalysis von Kirchhoff, Björn, Elvar Örn Jónsson, Jacob, Timo, Jónsson, Hannes

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Transferable Potential Function for Flexible H$_2$O Molecules Based on the Single Center Multipole Expansion von Jónsson, Elvar Örn, Rasti, Soroush, Galynska, Marta, Meyer, Jörg, Jónsson, Hannes

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