Items where Author is "Wilhelm, Jan"

Article

Pasquier, Remi and Graml, Maximilian and Wilhelm, Jan (2026) Gaussian Basis Sets for All-Electron Excited-State Calculations of Large Molecules. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 22 (1). pp. 540-557. ISSN 1549-9618, 1549-9626

Friedrich, Florentine and Herrmann, Paul and Shanbhag, Shridhar Sanjay and Klimmer, Sebastian and Wilhelm, Jan and Soavi, Giancarlo (2026) Measurement of optically induced broken time-reversal symmetry in atomically thin crystals. NATURE PHOTONICS, 20. pp. 186-193. ISSN 1749-4885, 1749-4893

Klimmer, Sebastian and Lettau, Thomas and Molina, Laura Valencia and Kartashov, Daniil and Peschel, Ulf and Wilhelm, Jan and Neshev, Dragomir and Soavi, Giancarlo (2026) Probing Ultrafast Coherent Bandgap Modulation in Monolayer WSe2 by Nonlinear Optics. ADVANCED OPTICAL MATERIALS, 14 (5). e03236. ISSN 2195-1071

Pasquier, Remi and Camarasa-Gomez, Maria and Hehn, Anna-Sophia and Hernangomez-Perez, Daniel and Wilhelm, Jan (2025) Efficient GW band structure calculations using Gaussian basis functions and application to atomically thin transition-metal dichalcogenides. PHYSICAL REVIEW B, 112 (20): 205130. ISSN 2469-9950, 2469-9969

Marek, Stepan and Wilhelm, Jan (2025) Linear and Nonlinear Optical Properties of Molecules from Real-Time Propagation Based on the Bethe-Salpeter Equation. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 21 (19). pp. 9814-9822. ISSN 1549-9618, 1549-9626

Herrmann, Paul and Klimmer, Sebastian and Lettau, Thomas and Weickhardt, Till and Papavasileiou, Anastasios and Mosina, Kseniia and Sofer, Zdenek and Paradisanos, Ioannis and Kartashov, Daniil and Wilhelm, Jan and Soavi, Giancarlo (2025) Nonlinear valley selection rules and all-optical probe of broken time-reversal symmetry in monolayer WSe2. NATURE PHOTONICS, 19 (3). pp. 300-306. ISSN 1749-4885, 1749-4893

Vogt, Jan-Robert and Wilhelm, Jan and Hehn, Anna-Sophia (2025) Perturbative spin-orbit couplings for the simulation of extended framework materials. JOURNAL OF CHEMICAL PHYSICS, 162 (8): 082502. ISSN 0021-9606, 1089-7690

Bassi, Nicolo and Wilhelm, Jan and Krane, Nils and Xiang, Feifei and Cmelova, Patricia and Turco, Elia and Gargiani, Pierluigi and Pignedoli, Carlo A. and Juricek, Michal and Fasel, Roman and Korytar, Richard and Ruffieux, Pascal (2025) Proximity-Driven Magnetic Coupling between an Open-Shell Nanographene and a Rare-Earth Surface Alloy. ACS NANO, 19 (38). pp. 33868-33878. ISSN 1936-0851, 1936-086X

Garcia de Abajo, F. Javier and Basov, D. N. and Koppens, Frank H. L. and Orsini, Lorenzo and Ceccanti, Matteo and Castilla, Sebastian and Cavicchi, Lorenzo and Polini, Marco and Goncalves, P. A. D. and Costa, A. T. and Peres, N. M. R. and Mortensen, N. Asger and Bharadwaj, Sathwik and Jacob, Zubin and Schuck, P. J. and Pasupathy, A. N. and Delor, Milan and Liu, M. K. and Mugarza, Aitor and Merino, Pablo and Cuxart, Marc G. and Chavez-Angel, Emigdio and Svec, Martin and Tizei, Luiz H. G. and Dirnberger, Florian and Deng, Hui and Schneider, Christian and Menon, Vinod and Deilmann, Thorsten and Chernikov, Alexey and Thygesen, Kristian S. and Abate, Yohannes and Terrones, Mauricio and Sangwan, Vinod K. and Hersam, Mark C. and Yu, Leo and Chen, Xueqi and Heinz, Tony F. and Murthy, Puneet and Kroner, Martin and Smolenski, Tomasz and Thureja, Deepankur and Chervy, Thibault and Genco, Armando and Trovatello, Chiara and Cerullo, Giulio and Dal Conte, Stefano and Timmer, Daniel and De Sio, Antonietta and Lienau, Christoph and Shang, Nianze and Hong, Hao and Liu, Kaihui and Sun, Zhipei and Rozema, Lee A. and Walther, Philip and Alu, Andrea and Marini, Andrea and Cotrufo, Michele and Queiroz, Raquel and Zhu, X. -Y. and Cox, Joel D. and Dias, Eduardo J. C. and Echarri, Alvaro Rodriguez and Iyikanat, Fadil and Herrmann, Paul and Tornow, Nele and Klimmer, Sebastian and Wilhelm, Jan and Soavi, Giancarlo and Sun, Zeyuan and Wu, Shiwei and Xiong, Ying and Matsyshyn, Oles and Kumar, Roshan Krishna and Song, Justin C. W. and Bucher, Tomer and Gorlach, Alexey and Tsesses, Shai and Kaminer, Ido and Schwab, Julian and Mangold, Florian and Giessen, Harald and Sanchez Sanchez, M. and Efetov, D. K. and Low, T. and Gomez-Santos, G. and Stauber, T. and Alvarez-Perez, Gonzalo and Duan, Jiahua and Martin-Moreno, Luis and Paarmann, Alexander and Caldwell, Joshua D. and Nikitin, Alexey Y. and Alonso-Gonzalez, Pablo and Mueller, Niclas S. and Volkov, Valentyn and Jariwala, Deep and Shegai, Timur and van de Groep, Jorik and Boltasseva, Alexandra and Bondarev, Igor V. and Shalaev, Vladimir M. and Simon, Jeffrey and Fruhling, Colton and Shen, Guangzhen and Novko, Dino and Tan, Shijing and Wang, Bing and Petek, Hrvoje and Mkhitaryan, Vahagn and Yu, Renwen and Manjavacas, Alejandro and Ortega, J. Enrique and Cheng, Xu and Tian, Ruijuan and Mao, Dong and Van Thourhout, Dries and Gan, Xuetao and Dai, Qing and Sternbach, Aaron and Zhou, You and Hafezi, Mohammad and Litvinov, Dmitrii and Grzeszczyk, Magdalena and Novoselov, Kostya S. and Koperski, Maciej and Papadopoulos, Sotirios and Novotny, Lukas and Viti, Leonardo and Vitiello, Miriam Serena and Cottam, Nathan D. and Dewes, Benjamin T. and Makarovsky, Oleg and Patane, Amalia and Song, Yihao and Cai, Mingyang and Chen, Jiazhen and Naveh, Doron and Jang, Houk and Park, Suji and Xia, Fengnian and Jenke, Philipp K. and Bajo, Josip and Braun, Benjamin and Burch, Kenneth S. and Zhao, Liuyan and Xu, Xiaodong (2025) Roadmap for Photonics with 2D Materials. ACS PHOTONICS, 12 (8). pp. 3961-4095. ISSN 2330-4022,

Graml, Maximilian and Zollner, Klaus and Hernangomez-Perez, Daniel and Faria Junior, Paulo E. and Wilhelm, Jan (2024) Low-Scaling GW Algorithm Applied to Twisted Transition-Metal Dichalcogenide Heterobilayers. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 20 (5). pp. 2202-2208. ISSN 1549-9618, 1549-9626

Schambeck, Mia and Golze, Dorothea and Wilhelm, Jan (2024) Solving multipole challenges in the GW100 benchmark enables precise low-scaling GW calculations. PHYSICAL REVIEW B, 110 (12): 125146. ISSN 2469-9950, 2469-9969

Azizi, Maryam and Wilhelm, Jan and Golze, Dorothea and Delesma, Francisco A. and Panades-Barrueta, Ramon L. and Rinke, Patrick and Giantomassi, Matteo and Gonze, Xavier (2024) Validation of the GreenX library time-frequency component for efficient GW and RPA calculations. PHYSICAL REVIEW B, 109 (24): 245101. ISSN 2469-9950, 2469-9969

Graml, Maximilian and Nitsch, Maximilian and Seith, Adrian and Evers, Ferdinand and Wilhelm, Jan (2023) Influence of chirp and carrier-envelope phase on noninteger high-harmonic generation. PHYSICAL REVIEW B, 107 (5): 054305. ISSN 2469-9950, 2469-9969

Barin, Gabriela Borin and Sun, Qiang and Di Giovannantonio, Marco and Du, Cheng-Zhuo and Wang, Xiao-Ye and Llinas, Juan Pablo and Mutlu, Zafer and Lin, Yuxuan and Wilhelm, Jan and Overbeck, Jan and Daniels, Colin and Lamparski, Michael and Sahabudeen, Hafeesudeen and Perrin, Mickael L. and Urgel, Jose and Mishra, Shantanu and Kinikar, Amogh and Widmer, Roland and Stolz, Samuel and Bommert, Max and Pignedoli, Carlo and Feng, Xinliang and Calame, Michel and Muellen, Klaus and Narita, Akimitsu and Meunier, Vincent and Bokor, Jeffrey and Fasel, Roman and Ruffieux, Pascal (2022) Growth Optimization and Device Integration of Narrow-Bandgap Graphene Nanoribbons. SMALL, 18 (31): 2202301. ISSN 1613-6810, 1613-6829

Li, Liang and Low, Jonathan Z. and Wilhelm, Jan and Liao, Guanming and Gunasekaran, Suman and Prindle, Claudia R. and Starr, Rachel L. and Golze, Dorothea and Nuckolls, Colin and Steigerwald, Michael L. and Evers, Ferdinand and Campos, Luis M. and Yin, Xiaodong and Venkataraman, Latha (2022) Highly conducting single-molecule topological insulators based on mono- and di-radical cations. NATURE CHEMISTRY, 14 (9). pp. 1061-1067. ISSN 1755-4330, 1755-4349

Wilhelm, Jan and Seewald, Patrick and Golze, Dorothea (2021) Low-Scaling GW with Benchmark Accuracy and Application to Phosphorene Nanosheets. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 17 (3). pp. 1662-1677. ISSN 1549-9618, 1549-9626

Wilhelm, Jan and Groessing, Patrick and Seith, Adrian and Crewse, Jack and Nitsch, Maximilian and Weigl, Leonard and Schmid, Christoph and Evers, Ferdinand (2021) Semiconductor Bloch-equations formalism: Derivation and application to high-harmonic generation from Dirac fermions. PHYSICAL REVIEW B, 103 (12): 125419. ISSN 2469-9950, 2469-9969

Kuehne, Thomas D. and Iannuzzi, Marcella and Del Ben, Mauro and Rybkin, Vladimir V. and Seewald, Patrick and Stein, Frederick and Laino, Teodoro and Khaliullin, Rustam Z. and Schutt, Ole and Schiffmann, Florian and Golze, Dorothea and Wilhelm, Jan and Chulkov, Sergey and Bani-Hashemian, Mohammad Hossein and Weber, Valery and Borstnik, Urban and Taillefumier, Mathieu and Jakobovits, Alice Shoshana and Lazzaro, Alfio and Pabst, Hans and Mueller, Tiziano and Schade, Robert and Guidon, Manuel and Andermatt, Samuel and Holmberg, Nico and Schenter, Gregory K. and Hehn, Anna and Bussy, Augustin and Belleflamme, Fabian and Tabacchi, Gloria and Gloss, Andreas and Lass, Michael and Bethune, Iain and Mundy, Christopher J. and Plessl, Christian and Watkins, Matt and VandeVondele, Joost and Krack, Matthias and Hutter, Jurg (2020) CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations. JOURNAL OF CHEMICAL PHYSICS, 152 (19). ISSN 0021-9606, 1089-7690

Duignan, Timothy T. and Schenter, Gregory K. and Fulton, John L. and Huthwelker, Thomas and Balasubramanian, Mahalingam and Galib, Mirza and Baer, Marcel D. and Wilhelm, Jan and Hutter, Jurg and Del Ben, Mauro and Zhao, X. S. and Mundy, Christopher J. (2020) Quantifying the hydration structure of sodium and potassium ions: taking additional steps on Jacob's Ladder. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 22 (19). pp. 10641-10652. ISSN 1463-9076, 1463-9084

Wilhelm, Jan and Walz, Michael and Evers, Ferdinand (2015) Ab initio spin-flip conductance of hydrogenated graphene nanoribbons: Spin-orbit interaction and scattering with local impurity spins. PHYSICAL REVIEW B, 92 (1): 014405. ISSN 2469-9950, 2469-9969