Energy Band Alignment between Anatase and Rutile TiO2
Pfeifer, Verena, Erhart, Paul, Li, Shunyi, Rachut, Karsten, Morasch, Jan, Brötz, Joachim, Reckers, Philip, Mayer, Thomas, Rühle, Sven, Zaban, Arie, Mora Seró, Iván, Bisquert, Juan, Jaegermann, Wolfram, Klein, Andreas
Published in The journal of physical chemistry letters (05.12.2013)
Published in The journal of physical chemistry letters (05.12.2013)
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Interlayer exciton dynamics in van der Waals heterostructures
Ovesen, Simon, Brem, Samuel, Linderälv, Christopher, Kuisma, Mikael, Korn, Tobias, Erhart, Paul, Selig, Malte, Malic, Ermin
Published in Communications physics (28.02.2019)
Published in Communications physics (28.02.2019)
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Tensorial Properties via the Neuroevolution Potential Framework: Fast Simulation of Infrared and Raman Spectra
Xu, Nan, Rosander, Petter, Schäfer, Christian, Lindgren, Eric, Österbacka, Nicklas, Fang, Mandi, Chen, Wei, He, Yi, Fan, Zheyong, Erhart, Paul
Published in Journal of chemical theory and computation (23.04.2024)
Published in Journal of chemical theory and computation (23.04.2024)
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Machine Learning-Based Interpretation of Optical Properties of Colloidal Gold with Convolutional Neural Networks
Bilén, Frida, Ekborg-Tanner, Pernilla, Balzano, Antoine, Ughetto, Michaël, da Silva, Robson Rosa, Schomaker, Hannes, Erhart, Paul, Moth-Poulsen, Kasper, Bordes, Romain
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Published in Journal of physical chemistry. C (22.08.2024)
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Norbornadiene‐Based Photoswitches with Exceptional Combination of Solar Spectrum Match and Long‐Term Energy Storage
Jevric, Martyn, Petersen, Anne U., Mansø, Mads, Kumar Singh, Sandeep, Wang, Zhihang, Dreos, Ambra, Sumby, Christopher, Nielsen, Mogens Brøndsted, Börjesson, Karl, Erhart, Paul, Moth‐Poulsen, Kasper
Published in Chemistry : a European journal (03.09.2018)
Published in Chemistry : a European journal (03.09.2018)
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A Library of Late Transition Metal Alloy Dielectric Functions for Nanophotonic Applications
Rahm, J. Magnus, Tiburski, Christopher, Rossi, Tuomas P., Nugroho, Ferry Anggoro Ardy, Nilsson, Sara, Langhammer, Christoph, Erhart, Paul
Published in Advanced functional materials (01.08.2020)
Published in Advanced functional materials (01.08.2020)
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Optimization of Norbornadiene Compounds for Solar Thermal Storage by First-Principles Calculations
Kuisma, Mikael, Lundin, Angelica, Moth-Poulsen, Kasper, Hyldgaard, Per, Erhart, Paul
Published in ChemSusChem (21.07.2016)
Published in ChemSusChem (21.07.2016)
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Investigating the Chemical Ordering in Quaternary Clathrate Ba8AlxGa16-xGe30
Zhang, Yifei, Brorsson, Joakim, Kamiyama, Takashi, Saito, Takashi, Erhart, Paul, Palmqvist, Anders E C
Published in Inorganic chemistry (15.11.2021)
Published in Inorganic chemistry (15.11.2021)
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GPAW: An open Python package for electronic structure calculations
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
Published in The Journal of chemical physics (07.03.2024)
Published in The Journal of chemical physics (07.03.2024)
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