T. Frauenheim

发表

M Elstner, E. Kaxiras, J. Hermans, 2001, Proteins.

T. Frauenheim, A. Pecchia, G. Penazzi, 2016 .

A. Di Carlo, Alessandro Pecchia, Gotthard Seifert, 2006 .

Bálint Aradi, Thomas Frauenheim, Christof Köhler, 2013, Journal of chemical theory and computation.

T. A. Niehaus, Guanhua Chen, C. Yam, 2011, 1101.5929.

T. Frauenheim, B. Aradi, B. Hourahine, 2010 .

A. Akimov, T. Frauenheim, B. Aradi, 2016, Journal of chemical theory and computation.

A. Sieck, T. Frauenheim, M. Pederson, 1997 .

S. Köppen, T. Frauenheim, L. Colombi Ciacchi, 2012, Journal of chemical theory and computation.

T. Frauenheim, M. Heggie, R. Jones, 2002 .

Guanhua Chen, C. Yam, S. Markov, 2014, 2014 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD).

T. Frauenheim, B. Aradi, B. Hourahine, 2007, The journal of physical chemistry. A.

Alán Aspuru-Guzik, T. Frauenheim, C'esar A. Rodr'iguez-Rosario, 2013, 1308.1245.

M. Paternostro, K. Modi, T. Frauenheim, 2015, 1512.00589.

M. Lorke, T. Gregorkiewicz, Young Hee Lee, 2019, Nature Communications.

F. Jelezko, Á. Gali, T. Frauenheim, 2010, Physical review letters.

Young Hee Lee, Won-Seok Kim, Seung Mi Lee, 2001 .

Bálint Aradi, Thomas Frauenheim, Anders M N Niklasson, 2015, Journal of chemical theory and computation.

S. Suhai, M. Elstner, T. Frauenheim, 2001 .

G. Amaratunga, D. Mckenzie, T. Frauenheim, 1996 .

G. Seifert, T. Frauenheim, C. Köhler, 2007, The journal of physical chemistry. A.

E. Ganz, T. Frauenheim, Li‐Ming Yang, 2015, Physical chemistry chemical physics : PCCP.

E. Ganz, T. Frauenheim, Li‐Ming Yang, 2015, Journal of the American Chemical Society.

Á. Gali, T. Frauenheim, M. Bockstedte, 2007 .

Patrick W. Fowler, Dirk V. Porezag, Gotthard Seifert, 1997 .

T. Frauenheim, Liujiang Zhou, Junjie He, 2022, The journal of physical chemistry letters.

Giorgos Fagas, Thomas Frauenheim, Michael Nolan, 2010, Nano letters.

A. Gagliardi, T. Frauenheim, A. Pecchia, 2008, Physical review letters.

T. Frauenheim, K. Jackson, G. Jungnickel, 1998 .

M Elstner, T A Niehaus, F. Bernardi, 2004, The Journal of chemical physics.

R. Nieminen, T. Frauenheim, M. Luysberg, 2003 .

Thomas Frauenheim, Peter Deák, Adam Gali, 2005 .

Á. Gali, T. Frauenheim, P. Deák, 2007 .

T. Frauenheim, P. Deák, Vithaya Ruangpornvisuti, 2011, The Journal of chemical physics.

M. Lorke, T. Frauenheim, M. Bahmani, 2021, physica status solidi (b).

T. Frauenheim, Junjie He, Dongzhe Li, 2021, ACS applied materials & interfaces.

C. Yam, T. Frauenheim, A. Pecchia, 2022, Advanced Energy Materials.

E. Kaxiras, P. Maragakis, M. Elstner, 2017 .

S. Tretiak, T. Frauenheim, Liujiang Zhou, 2022, The journal of physical chemistry letters.

C. Rozzi, E. Molinari, S. Fernandez-Alberti, 2020, Nature Nanotechnology.

T. Frauenheim, A. L. Rosa, D. A. P. D. Deus, 2022, 2206.06342.

M. Lorke, T. Frauenheim, M. Bahmani, 2020, 2010.01115.

Jianping Xiao, T. Frauenheim, 2012, The journal of physical chemistry letters.

J. Kullgren, T. Frauenheim, B. Aradi, 2016 .

T. Frauenheim, L. Kou, Changfeng Chen, 2014, The journal of physical chemistry letters.

C. Yam, T. Frauenheim, A. Pecchia, 2021, Advanced science.

T. Frauenheim, B. Hourahine, J. Knaup, 2007, The journal of physical chemistry. A.

T. Frauenheim, T. Niehaus, B. Korff, 2013, 1304.4157.

Ruiqin Q. Zhang, T. Frauenheim, M. V. Van Hove, 2008, Journal of physics. Condensed matter : an Institute of Physics journal.

G. Seifert, K. An, T. Frauenheim, 2001, Journal of the American Chemical Society.

A. Carlo, A. Gagliardi, T. Frauenheim, 2004 .

E. Ganz, T. Frauenheim, Li‐Ming Yang, 2015, The Journal of chemical physics.

S. Tretiak, M. Schiek, T. Frauenheim, 2022, ACS nano.

G. Seifert, T. Frauenheim, Z. Hajnal, 2004 .

C. Yam, T. Frauenheim, Yuxiang Liu, 2022, Advanced science.

T. Frauenheim, T. Dumitricǎ, Z. Tong, 2022, ACS Applied Electronic Materials.

C. Yam, T. Frauenheim, A. Pecchia, 2022, The journal of physical chemistry letters.

Shouhang Li, H. Bao, T. Frauenheim, 2022, The journal of physical chemistry letters.

Jinlan Wang, T. Frauenheim, O. Prezhdo, 2022, Journal of the American Chemical Society.

T. Frauenheim, Arkamita Bandyopadhyay, Shuo-Xue Li, 2022, The journal of physical chemistry letters.

Á. Gali, T. Frauenheim, P. Deák, 2006, Physical review letters.

Meisam Farzalipour Tabriz, Bálint Aradi, Thomas Frauenheim, 2019, Comput. Phys. Commun..

G. Seifert, T. Frauenheim, C. Köhler, 2006 .

A. Carlo, M. Rohlfing, T. Frauenheim, 2004, cond-mat/0411024.

A. Sieck, T. Frauenheim, R. Krause-Rehberg, 2000 .

C. Yam, T. Frauenheim, Xiaoyan Wu, 2022, Journal of chemical theory and computation.

T. Frauenheim, M. Haugk, R. Gutierrez, 1997 .

M. Terrones, H. Terrones, G. Seifert, 2000 .

Jianping Xiao, T. Frauenheim, Tong Mou, 2022, The journal of physical chemistry letters.

T. Frauenheim, V. Gupta, S. Köppen, 2021, The Journal of Physical Chemistry C.

Guanhua Chen, S. Markov, T. Frauenheim, 2015, 2015 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD).

Guanhua Chen, S. Markov, T. Frauenheim, 2015, IEEE Electron Device Letters.

N. Hush, J. Reimers, A. Gagliardi, 2006, The Journal of chemical physics.

A. Carlo, J. Reimers, A. Gagliardi, 2006 .

M. Elstner, T. Frauenheim, T. Niehaus, 2005, cond-mat/0504207.

G. Galli, T. Frauenheim, M. Sternberg, 1999 .

P. Fowler, W. Krätschmer, G. Seifert, 1998 .

U. Gerstmann, T. Frauenheim, H. Overhof, 2003 .

A. Shvartsburg, T. Frauenheim, K. Jackson, 2006 .

T. Frauenheim, B. Aradi, C. Sánchez, 2019, The journal of physical chemistry. A.

G. Seifert, T. Frauenheim, Z. Hajnal, 2001 .

H. Urbassek, G. Seifert, T. Frauenheim, 2001 .

T. Frauenheim, S. Öberg, P. Briddon, 2001 .

Ruiqin Q. Zhang, T. Frauenheim, T. Niehaus, 2007 .

P. Lugli, A. Gagliardi, T. Frauenheim, 2004, 4th IEEE Conference on Nanotechnology, 2004..

M. Terrones, N. Grobert, G. Seifert, 2002 .

M. Terrones, N. Grobert, G. Seifert, 2002, Chemical communications.

T. Frauenheim, D. Porezag, G. Jungnickel, 1998 .

T. Frauenheim, G. Jungnickel, T. Köhler, 1996 .

T. Frauenheim, J. Elsner, M. Haugk, 1996 .

T. Frauenheim, S. Öberg, R. Jones, 2003 .

T. Frauenheim, M. Heggie, S. Öberg, 2000 .

T. Frauenheim, P. Briddon, M. Haugk, 1999 .

T. Frauenheim, M. Heggie, S. Öberg, 1999 .

Jianping Xiao, T. Frauenheim, T. Heine, 2014, Physical review letters.

J. Kullgren, T. Frauenheim, B. Aradi, 2022, Computer Physics Communications.

T. Frauenheim, P. Deák, M. Pederson, 2000 .

T. Frauenheim, C. Hamann, H. Burghardt, 1990 .

Ravi Kumar, T. Frauenheim, T. Dumitricǎ, 2022, Advanced Theory and Simulations.

M. Moseler, H. Häkkinen, T. Frauenheim, 2006 .

C. Yam, T. Frauenheim, B. Aradi, 2022, The journal of physical chemistry letters.

N. Hush, J. Reimers, A. Gagliardi, 2007, The journal of physical chemistry. A.

T. Frauenheim, H. Chakraborty, M. Madjet, 2022, Physical review letters.

S. Tretiak, T. Frauenheim, Yu Zhang, 2022, Journal of the American Chemical Society.

Thomas Frauenheim, Michael Wark, Christof Köhler, 2011, Small.

T. Frauenheim, Liujiang Zhou, Shuo Li, 2022, The journal of physical chemistry letters.

F. Bechstedt, Ruiqin Q. Zhang, T. Frauenheim, 2007 .

W. Schmidt, T. Frauenheim, E. Rauls, 2014, Journal of physics. Condensed matter : an Institute of Physics journal.

Bálint Aradi, Thomas Frauenheim, T. Frauenheim, 2018, The journal of physical chemistry letters.

R J Maurer, B Hourahine, B Aradi, 2020, The Journal of chemical physics.

U. Gerstmann, T. Frauenheim, B. Hourahine, 2008 .

T. Frauenheim, V. Aksenov, V. Sikora, 1981 .

T. Frauenheim, A. L. Rosa, G. Dolgonos, 2011 .

M. Terrones, H. Terrones, G. Seifert, 2000 .

Thomas Frauenheim, Mark R. Pederson, Dirk V. Porezag, 1997 .

T. Frauenheim, Sougata Pal, O. Prezhdo, 2021, Journal of the American Chemical Society.

O. Hod, T. Frauenheim, Tamar Zelovich, 2015, The journal of physical chemistry. A.

Klaus Schulten, Thomas Frauenheim, Walter Thiel, 2006, Journal of the American Chemical Society.

M. Elstner, T. Frauenheim, M. Hoffmann, 2008, The journal of physical chemistry. B.

M Elstner, F. Neese, W. Thiel, 2005, The journal of physical chemistry. B.

Thomas Frauenheim, Marius Wanko, Michael Hoffmann, 2006, J. Comput. Aided Mol. Des..

Thomas Frauenheim, Maicon Pierre Lourenço, Alexandre dos Santos Anastácio, 2020, Journal of Molecular Modeling.

A. Shvartsburg, M. Jarrold, T. Frauenheim, 1999 .

Meng Li, K. Sun, Changduk Yang, 2021, The journal of physical chemistry letters.

H. Mehrez, M. Elstner, A. Svizhenko, 2005, physics/0503100.

C. Yam, T. Frauenheim, Yongheng Zhang, 2023, Small.

Bálint Aradi, Thomas Frauenheim, Ney H Moreira, 2009, Journal of chemical theory and computation.

T. Frauenheim, S. Öberg, R. Jones, 2003 .

T. Frauenheim, R. Jones, A. T. Blumenau, 2003 .

A. L. da Rosa, T. Frauenheim, T. Wehling, 2014, The Journal of chemical physics.

T. Frauenheim, S. Öberg, R. Jones, 2000 .

A. L. da Rosa, S. Köppen, T. Frauenheim, 2014, Physical chemistry chemical physics : PCCP.

Peng Zhou, Shuangyin Wang, T. Frauenheim, 2022, Advanced materials.

C. Felser, Binghai Yan, T. Frauenheim, 2013, Carbon.

Michael Dellnitz, Zoltán Hajnal, Stefan Sertl, 2004 .

J. Butler, T. Frauenheim, R. Jones, 2002 .

N. T. Son, Á. Gali, T. Frauenheim, 2001 .

J. Kullgren, T. Frauenheim, V. Gupta, 2021, Journal of chemical theory and computation.

Thomas Frauenheim, Olaf Stenzel, Steffen Schulze, 1989 .

T. Frauenheim, M. Heggie, R. Jones, 1998 .

A. Sieck, M. Puska, T. Frauenheim, 2002 .

T. Frauenheim, S. Öberg, R. Jones, 2002 .

T. Frauenheim, F. Richter, G. Jungnickel, 1994 .

G. Amaratunga, D. Mckenzie, T. Frauenheim, 1997 .

Yan Liang, T. Frauenheim, Yanliang Zhao, 2021, The journal of physical chemistry letters.

R. O. Jones, P. Gori-Giorgi, G. Vignale, 2022, Physical chemistry chemical physics : PCCP.

Á. Gali, T. Frauenheim, B. Aradi, 2014, Nano letters.

S. Ehlert, S. Grimme, T. Frauenheim, 2023, The Journal of chemical physics.

T. Frauenheim, B. Hourahine, T. Dumitricǎ, 2014, The journal of physical chemistry letters.

H. Urbassek, G. Seifert, T. Frauenheim, 2001 .

Xiao Yan Zhu, Thomas Frauenheim, Young Hee Lee, 2000 .

G. Seifert, T. Frauenheim, C. Köhler, 2005 .

T. Frauenheim, Junjie He, 2020, The journal of physical chemistry letters.

M. Lorke, D. Rocca, Á. Rubio, 2020, Physical review letters.

G. Feller, T. Frauenheim, W. Matz, 1979 .

Sándor Suhai, Dirk V. Porezag, Gotthard Seifert, 1997 .

Thomas Frauenheim, D. Heringer, T. A. Niehaus, 2007, J. Comput. Chem..

Thomas Frauenheim, Mauro Paternostro, Kavan Modi, 2018, Physical review letters.

E. Ganz, T. Frauenheim, Li‐Ming Yang, 2015, Physical chemistry chemical physics : PCCP.

A. L. da Rosa, M. Lorke, C. Ronning, 2019, physica status solidi (b).

T. Frauenheim, G. Jungnickel, J. Elsner, 1998 .

M. Elstner, P. Bała, T. Frauenheim, 2004 .

N. Hush, J. Reimers, A. Gagliardi, 2006, The Journal of chemical physics.

C. Yam, S. Tretiak, T. Frauenheim, 2022, Chemical science.

Sven Öberg, Patrick R. Briddon, T. Frauenheim, 1998 .

T. Frauenheim, A. L. Rosa, L. L. Tacca, 2018, Physica E: Low-dimensional Systems and Nanostructures.

N. Hush, J. Reimers, A. Gagliardi, 2006, Nano letters.

A. Carlo, A. Gagliardi, T. Frauenheim, 2004, 2004 Abstracts 10th International Workshop on Computational Electronics.

T. Frauenheim, L. Kou, Changfeng Chen, 2012, The journal of physical chemistry letters.

T. Frauenheim, S. Öberg, P. Briddon, 2005 .

C. Yam, S. Tretiak, T. Frauenheim, 2022, The Journal of chemical physics.

Thomas Frauenheim, Dong Jae Bae, Young Hee Lee, 2000 .

M. Lorke, T. Frauenheim, A. L. Rosa, 2015, 1501.05090.

T. Frauenheim, Jun He, D. R. Roy, 2021, Journal of hazardous materials.

Jianping Xiao, T. Frauenheim, P. Deák, 2022, The journal of physical chemistry letters.

M. Hellström, J. Kullgren, T. Frauenheim, 2013, The journal of physical chemistry. C, Nanomaterials and interfaces.

Sven Öberg, Patrick R. Briddon, Marcus Elstner, 1997 .

T. Frauenheim, A. Hoffman, Y. Lifshitz, 2002, Science.

Yan Liang, T. Frauenheim, Pei Zhao, 2022, The journal of physical chemistry letters.

T. Frauenheim, D. Porezag, W. Zimmermann-Edling, 1994 .

R. Marschall, T. Frauenheim, C. Köhler, 2012, Chemical Society reviews.

Bálint Aradi, Thomas Frauenheim, François Maurel, 2015, J. Comput. Chem..

T. Frauenheim, M. Heggie, J. Elsner, 1999 .

T. Frauenheim, C. Köhler, V. Weiss, 2011, The Journal of chemical physics.

T. Frauenheim, C. Sánchez, M. Berdakin, 2019, Nanoscale.

T. Frauenheim, T. Dumitricǎ, Z. Tong, 2021, Nano letters.

M. Elstner, T. Frauenheim, B. Aradi, 2017, Journal of chemical theory and computation.

R. Nieminen, T. Frauenheim, R. Krause-Rehberg, 2001, Physical review letters.

M. Lorke, T. Frauenheim, B. Aradi, 2019, Physical Review B.

T. Frauenheim, Z. Hajnal, E. Rauls, 2001 .

T. Frauenheim, Z. Hajnal, E. Rauls, 2000 .

W. Schmidt, U. Gerstmann, T. Frauenheim, 2009 .

M. Lorke, T. Frauenheim, B. Aradi, 2019, Journal of Applied Physics.

W. J. Choyke, Á. Gali, T. Frauenheim, 2002 .

A. L. da Rosa, Binghai Yan, C. Yam, 2009, Physical review letters.

Rigoberto Hernandez, Thomas Frauenheim, Qiang Cui, 2016, The journal of physical chemistry. B.

T. Frauenheim, T. Niehaus, A. Dominguez, 2015, The journal of physical chemistry. A.

T. Frauenheim, Li‐Ming Wu, Peng-Fei Liu, 2016, Physical chemistry chemical physics : PCCP.

B. Shao, A. Du, T. Frauenheim, 2016, The journal of physical chemistry letters.

C. Yam, T. Frauenheim, A. Pecchia, 2021, 2104.04361.

T. Frauenheim, B. Aradi, P. Deák, 2017, Journal of physics. Condensed matter : an Institute of Physics journal.

Á. Rubio, T. Frauenheim, R. Biele, 2016, 1611.08471.

S. T. Lee, Shui-Tong Lee, D. D. D. Ma, 2005, The Journal of chemical physics.

Koblar A. Jackson, Thomas Frauenheim, Alexandre A. Shvartsburg, 2004 .

Bálint Aradi, Thomas Frauenheim, Ahmad W. Huran, 2018, Journal of chemical theory and computation.

Bálint Aradi, Thomas Frauenheim, Zoltán Bodrog, 2011, Journal of chemical theory and computation.

T. Frauenheim, T. Niehaus, S. T. Lee, 2008, The Journal of chemical physics.

T. Frauenheim, T. Niehaus, S. Simdyankin, 2004, Physical review letters.

T. Frauenheim, Z. Zeng, P. Deák, 2021, Physical Review Applied.

T. Frauenheim, L. Kou, U. Schwingenschlogl, 2014, 1412.0749.

T. Frauenheim, K. Jackson, Mingli Yang, 2005 .

Koblar A. Jackson, Thomas Frauenheim, Mark R. Pederson, 1997 .

T. Frauenheim, T. Niehaus, S. T. Lee, 2007, Journal of chemical theory and computation.

Thomas Frauenheim, Viktor Bezugly, Gianaurelio Cuniberti, 2011, ACS nano.

M. Lorke, T. Frauenheim, Dennis Franke, 2020 .

X. Shi, T. Frauenheim, M. V. Van Hove, 2014, Nanoscale.

Shui-Tong Lee, Yuan Yao, T. Frauenheim, 2005 .

C. Yam, T. Frauenheim, Carlos‐Andres Palma, 2021, Nano letters.

T. Frauenheim, M. Heggie, G. Jungnickel, 1996 .

A. Carlo, A. Gagliardi, T. Frauenheim, 2007 .

Thomas Frauenheim, Claudia Felser, Binghai Yan, 2013, Nano letters.

T. Frauenheim, B. Aradi, S. Meng, 2017, Nanoscale.

A. Carlo, P. Lugli, T. Frauenheim, 2003 .

Esha V. Shah, T. Frauenheim, U. Kleinekathöfer, 2022, Materials Today Chemistry.

A. L. da Rosa, T. Frauenheim, L. L. Tacca, 2018, physica status solidi (b).

J. Kullgren, T. Frauenheim, P. Deák, 2014 .

A. L. da Rosa, T. Frauenheim, M. C. da Silva, 2020, Physical chemistry chemical physics : PCCP.

W. J. Choyke, Á. Gali, T. Frauenheim, 2006 .

T. Frauenheim, G. Jungnickel, C. D. Latham, 1998 .

T. Frauenheim, Tong Mou, P. Deák, 2023, Physical Review B.

T. Frauenheim, M. Pederson, D. Porezag, 1996 .

Gilles H. Peslherbe, T. Frauenheim, S. Jahangiri, 2013, Journal of chemical theory and computation.

T. Frauenheim, M. Sternberg, J. Widany, 1997 .

T. Frauenheim, P. Deák, Quoc Duy Ho, 2018 .

T. Frauenheim, K. Jackson, J. Jellinek, 2006, The Journal of chemical physics.

T. Frauenheim, D. Porezag, G. Jungnickel, 1995 .

Michael Schreiber, Dietrich R. T. Zahn, Marcus Elstner, 2000 .

T. Frauenheim, B. Aradi, T. Niehaus, 2023, Physical Review Materials.

T. Frauenheim, A. Pecchia, L. Latessa, 2007, IEEE Transactions on Electron Devices.

Paolo Lugli, Thomas Frauenheim, Aldo Di Carlo, 2002 .

T. Frauenheim, U. Kleinekathöfer, D. R. Roy, 2022, Materials Today Chemistry.

A. L. da Rosa, T. Frauenheim, N. Moreira, 2012, Physical chemistry chemical physics : PCCP.

T. Frauenheim, M. Pederson, D. Porezag, 1995 .

G. Cuniberti, T. Frauenheim, T. Niehaus, 2012, Journal of chemical theory and computation.

T. Frauenheim, T. Niehaus, A. De Sarkar, 2012 .

I. Rolfes, D. Ristau, N. Kaiser, 2011, Optical Systems Design.

Shui-Tong Lee, T. Frauenheim, T. Niehaus, 2008 .

Shui-Tong Lee, T. Frauenheim, T. Niehaus, 2007 .

Shui-Tong Lee, T. Frauenheim, T. Niehaus, 2007 .

A. Sieck, T. Frauenheim, K. Jackson, 2003 .

T. Frauenheim, Junjie He, C. Bacaksiz, 2021, The journal of physical chemistry letters.

Thomas Frauenheim, Xiao Zheng, Yong Wang, 2011, 1101.0722.

M Horoi, A. Shvartsburg, T. Frauenheim, 2000, Physical review letters.

B Aradi, T. Frauenheim, B. Aradi, 2007, The journal of physical chemistry. A.

M Elstner, L. Wan, M. Elstner, 2005, The journal of physical chemistry. B.

A. Aspuru‐Guzik, T. Frauenheim, César A. Rodŕıguez-Rosario, 2019, Open Syst. Inf. Dyn..

Thomas Frauenheim, Xavier Prat-Resina, Marcus Elstner, 2006, Journal of the American Chemical Society.

S. Ramanathan, T. Frauenheim, P. Broqvist, 2014 .

T. Frauenheim, V. Gupta, B. Aradi, 2021, 2102.02725.

T. Frauenheim, B. Aradi, V. Lutsker, 2013, Journal of chemical theory and computation.

R Wiesendanger, R. Wiesendanger, B. Iversen, 2012, Physical review letters.

M. Lorke, T. Frauenheim, P. Deák, 2020, Journal of physics. Condensed matter : an Institute of Physics journal.

Thomas Frauenheim, Claudia Felser, Binghai Yan, 2014, ACS nano.

Ying Dai, T. Frauenheim, Baibiao Huang, 2020, 2009.06268.

E. Kaxiras, P. Maragakis, M. Elstner, 2002, cond-mat/0210663.

Jianping Xiao, T. Frauenheim, P. Deák, 2021, The journal of physical chemistry letters.

T. Frauenheim, B. Aradi, C. Köhler, 2006 .

T. Frauenheim, R. Scholz, K. Leo, 2001, Physical review letters.

E. Ganz, T. Frauenheim, Li‐Ming Yang, 2015, Physical chemistry chemical physics : PCCP.

T. Frauenheim, C'esar A. Rodr'iguez-Rosario, E. Kapetanovi'c, 2016, 1602.08244.

E. Ganz, T. Frauenheim, Li‐Ming Yang, 2016 .

Seifert, R. Kaschner, G. Seifert, 1995, Physical review. B, Condensed matter.

T. Frauenheim, P. Deák, Quoc Duy Ho, 2018, Journal of Applied Physics.

T. Frauenheim, Y. J. Wang, B. Teo, 2010 .

T. Frauenheim, M. Amkreutz, O. Hennemann, 2005, The journal of physical chemistry. B.

A. Sieck, Á. Gali, T. Frauenheim, 1997 .

R. Nieminen, T. Frauenheim, G. Jungnickel, 2000 .

Seifert, Jungnickel, M. Terrones, 2000, Physical review letters.

Yan Liang, T. Frauenheim, Fulu Zheng, 2022, The Journal of Physical Chemistry C.

Jürgen Teich, Sanaz Mostaghim, Thomas Frauenheim, 2004, Proceedings of the 2004 Congress on Evolutionary Computation (IEEE Cat. No.04TH8753).

T. Frauenheim, Z. Hajnal, F. Flores, 2003 .

T. Frauenheim, A. L. Rosa, E. N. Lima, 2020, 2008.12655.

W. J. Choyke, Á. Gali, T. Frauenheim, 2006 .

M. Elstner, T. Frauenheim, Changfeng Chen, 2001 .

M. Elstner, T. Frauenheim, C. Chen, 2001, Physical review letters.

B. Shao, A. Du, T. Frauenheim, 2015, The journal of physical chemistry letters.

E. Ganz, T. Frauenheim, Li‐Ming Yang, 2015, Physical chemistry chemical physics : PCCP.

J. Kullgren, T. Frauenheim, B. Aradi, 2022, Comput. Phys. Commun..

Á. Gali, T. Frauenheim, B. Aradi, 2008 .

T. Frauenheim, D. Ryndyk, Patrick Karasch, 2018, 1802.00199.

T. Frauenheim, B. Aradi, Guozheng Fan, 2023, Journal of chemical theory and computation.

E. Tajkhorshid, N. Ghosh, P. König, 2006, The journal of physical chemistry. A.

M. Lorke, A. Domínguez, A. L. da Rosa, 2014, Photonics West - Optoelectronic Materials and Devices.

C. Yam, S. Tretiak, T. Frauenheim, 2022, The Journal of chemical physics.

Q. Cui, P. König, T. Frauenheim, 2005, The journal of physical chemistry. B.