Resultats de la cerca - Scheffler, Matthias

Coherent Collections of Rules Describing Exceptional Materials Identified with a Multi-Objective Optimization of Subgroups per Foppa, Lucas, Scheffler, Matthias

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Switchable polarization in non-ferroelectric SrTiO$_3$ per Aggoune, Wahib, Scheffler, Matthias

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Unveiling the Core of Materials Properties via SISSO and Sensitivity Analysis per Foppa, Lucas, Scheffler, Matthias

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Carrier Mobility of Strongly Anharmonic Materials from First Principles per Quan, Jingkai, Carbogno, Christian, Scheffler, Matthias

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Materials-Discovery Workflows Guided by Symbolic Regression: Identifying Acid-Stable Oxides for Electrocatalysis per Nair, Akhil S., Foppa, Lucas, Scheffler, Matthias

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Materials Database from All-electron Hybrid Functional DFT Calculations per Nair, Akhil S., Foppa, Lucas, Scheffler, Matthias

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Efficient Computation of the Long-Range Exact Exchange using an Extended Screening Function per Kokott, Sebastian, Blum, Volker, Scheffler, Matthias

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Efficient Band Structure Unfolding with Atom-centered Orbitals: General Theory and Application per Quan, Jingkai, Rybin, Nikita, Scheffler, Matthias, Carbogno, Christian

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Self-interaction corrected SCAN functional for molecules and solids in the numeric atom-center orbital framework per Bi, Sheng, Carbogno, Christian, Zhang, Igor Ying, Scheffler, Matthias

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Accelerating the Training and Improving the Reliability of Machine-Learned Interatomic Potentials for Strongly Anharmonic Materials through Active Learning per Kang, Kisung, Purcell, Thomas A. R., Carbogno, Christian, Scheffler, Matthias

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Coupled-cluster theory for the ground state and for excitations per Grüneis, Andreas, Moerman, Evgeny, Scheffler, Matthias, Shen, Tonghao, Zhang, Igor Ying

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Finite-size Effects in periodic EOM-CCSD for Ionization Energies and Electron Affinities: Convergence Rate and Extrapolation to the Thermodynamic Limit per Moerman, Evgeny, Gallo, Alejandro, Irmler, Andreas, Schäfer, Tobias, Hummel, Felix, Grüneis, Andreas, Scheffler, Matthias

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A high-performance and portable implementation of the SISSO method for CPUs and GPUs per Eibl, Sebastian, Yao, Yi, Scheffler, Matthias, Rampp, Markus, Ghiringhelli, Luca M., Purcell, Thomas A. R.

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Density-Functional Perturbation Theory with Numeric Atom-Centered Orbitals per Box, Connor L., Maurer, Reinhard J., Shang, Honghui, Scheffler, Matthias, Blum, Volker, Carbogno, Christian, Rossi, Mariana

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Temperature-dependent Electronic Spectral Functions from Band-Structure Unfolding per Quan, Jingkai, Zhang, Min-Ye, Rybin, Nikita, Zacharias, Marios, Ren, Xinguo, Jiang, Hong, Scheffler, Matthias, Carbogno, Christian

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Efficient All-electron Hybrid Density Functionals for Atomistic Simulations Beyond 10,000 Atoms per Kokott, Sebastian, Merz, Florian, Yao, Yi, Carbogno, Christian, Rossi, Mariana, Havu, Ville, Rampp, Markus, Scheffler, Matthias, Blum, Volker

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Exploring the accuracy of the equation-of-motion coupled-cluster band gap of solids per Moerman, Evgeny, Miranda, Henrique, Gallo, Alejandro, Irmler, Andreas, Schäfer, Tobias, Hummel, Felix, Engel, Manuel, Kresse, Georg, Scheffler, Matthias, Grüneis, Andreas

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Roadmap on Data-Centric Materials Science per Bauer, Stefan, Benner, Peter, Bereau, Tristan, Blum, Volker, Boley, Mario, Carbogno, Christian, Catlow, C. Richard A., Dehm, Gerhard, Eibl, Sebastian, Ernstorfer, Ralph, Fekete, Ádám, Foppa, Lucas, Fratzl, Peter, Freysoldt, Christoph, Gault, Baptiste, Ghiringhelli, Luca M., Giri, Sajal K., Gladyshev, Anton, Goyal, Pawan, Hattrick-Simpers, Jason, Kabalan, Lara, Karpov, Petr, Khorrami, Mohammad S., Koch, Christoph, Kokott, Sebastian, Kosch, Thomas, Kowalec, Igor, Kremer, Kurt, Leitherer, Andreas, Li, Yue, Liebscher, Christian H., Logsdail, Andrew J., Lu, Zhongwei, Luong, Felix, Marek, Andreas, Merz, Florian, Mianroodi, Jaber R., Neugebauer, Jörg, Pei, Zongrui, Purcell, Thomas A. R., Raabe, Dierk, Rampp, Markus, Rossi, Mariana, Rost, Jan-Michael, Saal, James, Saalmann, Ulf, Sasidhar, Kasturi Narasimha, Saxena, Alaukik, Sbailò, Luigi, Scheidgen, Markus, Schloz, Marcel, Schmidt, Daniel F., Teshuva, Simon, Trunschke, Annette, Wei, Ye, Weikum, Gerhard, Xian, R. Patrick, Yao, Yi, Yin, Junqi, Zhao, Meng, Scheffler, Matthias

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Roadmap on Advancements of the FHI-aims Software Package per Abbott, Joseph W., Acosta, Carlos Mera, Akkoush, Alaa, Ambrosetti, Alberto, Atalla, Viktor, Bagrets, Alexej, Behler, Jörg, Berger, Daniel, Bertschi, Hannah, Bieniek, Björn, Björk, Jonas, Blum, Volker, Bohloul, Saeed, Box, Connor L., Boyer, Nicholas, Brambila, Danilo Simoes, Bramley, Gabriel A., Bryenton, Kyle R., Camarasa-Gómez, María, Carbogno, Christian, Caruso, Fabio, Chutia, Sucismita, Ceriotti, Michele, Csányi, Gábor, Dawson, William, Delesma, Francisco A., Della Sala, Fabio, Delley, Bernard, DiStasio Jr., Robert A., Dragoumi, Maria, Driessen, Sander, Dvorak, Marc, Erker, Simon, Evers, Ferdinand, Fabiano, Eduardo, Farrow, Matthew R., Fiebig, Florian, Filser, Jakob, Foppa, Lucas, Gallandi, Lukas, Garcia, Alberto, Gehrke, Ralf, Ghan, Simiam, Ghiringhelli, Luca M., Glass, Mark, Goedecker, Stefan, Golze, Dorothea, Gramzow, Matthias, Green, James A., Grisafi, Andrea, Grüneis, Andreas, Günzl, Jan, Gutzeit, Stefan, Hall, Samuel J., Hanke, Felix, Havu, Ville, He, Xingtao, Hekele, Joscha, Hellman, Olle, Herath, Uthpala, Hermann, Jan, Hernangómez-Pérez, Daniel, Hofmann, Oliver T., Hoja, Johannes, Hollweger, Simon, Hörmann, Lukas, Hourahine, Ben, How, Wei Bin, Huhn, William P., Hülsberg, Marcel, Jacob, Timo, Jand, Sara Panahian, Jiang, Hong, Johnson, Erin R., Jürgens, Werner, Kahk, J. Matthias, Kanai, Yosuke, Kang, Kisung, Karpov, Petr, Keller, Elisabeth, Kempt, Roman, Khan, Danish, Kick, Matthias, Klein, Benedikt P., Kloppenburg, Jan, Knoll, Alexander, Knoop, Florian, Knuth, Franz, Köcher, Simone S., Kockläuner, Jannis, Kokott, Sebastian, Körzdörfer, Thomas, Kowalski, Hagen-Henrik, Kratzer, Peter, Kůs, Pavel, Laasner, Raul, Lang, Bruno, Lange, Björn, Langer, Marcel F., Larsen, Ask Hjorth, Lederer, Hermann, Lehtola, Susi, Lenz-Himmer, Maja-Olivia, Leucke, Moritz, Levchenko, Sergey, Lewis, Alan, von Lilienfeld, O. Anatole, Lion, Konstantin, Lipsunen, Werner, Lischner, Johannes, Litman, Yair, Liu, Chi, Liu, Qing-Long, Liu, Songrui, Logsdail, Andrew J., Lorke, Michael, Lou, Zekun, Mandzhieva, Iuliia, Marek, Andreas, Margraf, Johannes T., Maurer, Reinhard J., Melson, Tobias, Merz, Florian, Meyer, Jörg, Michelitsch, Georg S., Mizoguchi, Teruyasu, Moerman, Evgeny, Morgan, Dylan, Morgenstein, Jack, Moussa, Jonathan, Nair, Akhil S., Nemec, Lydia, Oberhofer, Harald, Otero-de-la-Roza, Alberto, Panadés-Barrueta, Ramón L., Patlolla, Thanush, Pogodaeva, Mariia, Pöppl, Alexander, Price, Alastair J. A., Purcell, Thomas A. R., Quan, Jingkai, Raimbault, Nathaniel, Rampp, Markus, Rasim, Karsten, Redmer, Ronald, Ren, Xinguo, Reuter, Karsten, Richter, Norina A., Ringe, Stefan, Rinke, Patrick, Rittmeyer, Simon P., Rivera-Arrieta, Herzain I., Ropo, Matti, Rossi, Mariana, Ruiz, Victor, Rybin, Nikita, Sanfilippo, Andrea, Scheffler, Matthias, Scheurer, Christoph, Schober, Christoph, Schubert, Franziska, Shen, Tonghao, Shepard, Christopher, Shang, Honghui, Shibata, Kiyou, Sobolev, Andrei, Song, Ruyi, Soon, Aloysius, Speckhard, Daniel T., Stishenko, Pavel V., Stocco, Elia, Tahir, Muhammad N., Takahara, Izumi, Tang, Jun, Tang, Zechen, Theis, Thomas, Theiss, Franziska, Tkatchenko, Alexandre, Todorović, Milica, Trenins, George, Unke, Oliver T., Vázquez-Mayagoitia, Álvaro, van Vuren, Oscar, Waldschmidt, Daniel, Wang, Han, Wang, Yanyong, Wieferink, Jürgen, Wilhelm, Jan, Woodley, Scott, Xu, Jianhang, Xu, Yong, Yao, Yi, Yao, Yingyu, Yoon, Mina, Yu, Victor Wen-zhe, Yuan, Zhenkun, Zacharias, Marios, Zhang, Igor Ying, Zhang, Min-Ye, Zhang, Wentao, Zhang, Xingchen, Zhao, Rundong, Zhao, Shuo, Zhou, Ruiyi, Zhou, Yuanyuan, Zhu, Tong

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