Publications by Andreas Hermann

High-Temperature Superconductivity in M2BH6 Hydrides under Near Ambient Pressure DOI
Weiguo Sun, Simin Li, Xiaofeng Li, Feifei Qiu, Bole Chen, Cheng Lu, Andreas Hermann and Feng Peng, Physical Review B, 113, 18, p. 1-8 (2026)
High-throughput structure searches for ambient-pressure superconductors in boron-carbon clathrates DOI
Yuao Wei, Muguang Zhu, Junyi Miao, Chen Chen, Andreas Hermann and Cheng Lu, Journal of Materials Chemistry C, 2026 (2026)
Close-packed atomic bromine up to 230 GPa DOI
E. Edmund, M. H. Dalsaniya, R. T. Howie, E. Greenberg, V. B. Prakapenka, M. Pena-Alvarez, M. Hanfland, P. Dalladay-Simpson, D. Kurzydlowski and A. Hermann, Physical Review B, 112, 13, p. 1-7 (2025)
Tadah! a Swiss army knife for developing and deployment of machine learning interatomic potentials DOI
Marcin Kirsz, Ayobami Daramola, Andreas Hermann, Hongxiang Zong and Graeme J. Ackland, Computer Physics Communications, 315, p. 1-8 (2025)
Distinction between ice phases VII, VIII, and X DOI
Graeme J. Ackland, Andreas Hermann, Kazuki Komatsu, Keishiro Yamashita and J. S. Loveday, Physical Review B, 112, 9, p. 1-12 (2025)
High-Pressure Synthesis and Characterization of the Novel Potassium Superhydride KH9 DOI
Tomas Marqueno, Israel Osmond, Mikhail A. Kuzovnikov, Hannah A. Shuttleworth, Andreas Hermann, Ross T. Howie and Miriam Pena-Alvarez, The Journal of Physical Chemistry Letters, 16, 37, p. 9701-9707 (2025)
Pressure-Driven Reactivity in Dense Methane-Nitrogen Mixtures DOI
Hannah A. Shuttleworth, Mikhail A. Kuzovnikov, Lewis J. Conway, Huixin Hu, Jinwei Yan, Samuel Gallego-Parra, Israel Osmond, Tomas Marqueno, Michael Hanfland, Dominique Laniel, Eugene Gregoryanz, Andreas Hermann, Miriam Pena-Alvarez and Ross T. Howie, Angewandte Chemie - International Edition, 64, 20, p. 1-7 (2025)
Synthesis of Na3WH9 and Na3ReH8 Ternary Hydrides at High Pressures DOI
Tomas Marqueño, Israel Osmond, Mikhail A. Kuzovnikov, Hannah A. Shuttleworth, Samuel Gallego-Parra, Eugene Gregoryanz, Andreas Hermann, Ross T. Howie and Miriam Peña-Alvarez, Inorganic Chemistry, 63, 45, p. 21734-21741 (2024)
Structural phase transition in NH₄F under extreme pressure conditions DOI
Umbertoluca Ranieri, Christophe Bellin, Lewis J. Conway, Richard Gaal, John S. Loveday, Andreas Hermann, Abhay Shukla and Livia E. Bove, Communications Chemistry, 7, 1, p. 1-8 (2024)
Predicted hot superconductivity in LaSc2H24 under pressure DOI
Xin-Ling He, Wenbo Zhao, Yu Xie, Andreas Hermann, Russell J. Hemley, Hanyu Liu and Yanming Ma, Proceedings of the National Academy of Sciences (PNAS), 121, 26, p. 1-6 (2024)
Incommensurate charge density wave order in U2⁢Ti DOI
Callum R. Stevens, Andreas Hermann, Andrew Huxley and Didier Wermeille, Physical Review B, 109, 12, p. 1-11 (2024)
Revisiting Solid-solid Phase Transitions in Sodium and Potassium Tetrafluoroborate for Thermal Energy Storage DOI
Sumit Konar, Gertruda Zieniute, Elliot Lascelles, Beth Wild, Andreas Hermann, Yi Wang, Robert J. Quinn, Jan-Willem G. Bos and Andrew Fitch, Chemistry of Materials, 36, 3, p. 1238-1248 (2024)
Simple Molecules under High-Pressure and High-Temperature Conditions: Synthesis and Characterization of α- and β-C(NH)2 with Fully sp3-Hybridized Carbon DOI
Thaddaus J. Koller, Siyu Jin, Viktoria Krol, Sebastian J. Ambach, Umbertoluca Ranieri, Saiana Khandarkhaeva, James Spender, Stewart McWilliams, Florian Trybel, Nico Giordano, Andreas Hermann, Dominique Laniel et al., Angewandte Chemie, 63, 7, p. 1-6 (2024)
High pressure study of sodium trihydride DOI
Tomas Marqueno, Mikhail A. Kuzovnikov, Israel Osmond, Philip Dalladay-Simpson, Andreas Hermann, Ross T. Howie and Miriam Pena Alvarez, Frontiers in chemistry, 11, p. 1-8 (2024)
FeSiO4H2 stabilized at subducting slab conditions: A geologically viable water carrier into the Earth's lower mantle DOI
Sen Shao, Jian Lv, Hanyu Liu, Wencheng Lu, Peng Liu, Andreas Hermann, Yanchao Wang, Changfeng Chen and Yanming Ma, Physical Review B, 108, 21, p. 1-7 (2023)
Sodalite-like carbon based superconductors with Tc about 77 K at ambient pressure DOI
Siyu Jin, Xiaoyu Kuang, Xilong Dou, Andreas Hermann and Cheng Lu, Journal of Materials Chemistry C, 2024 (2023)
Mutual stabilization of charge-density-wave and monoclinic distortion in sulfur at high pressures DOI
Owen Moulding, Lewis J. Conway, Israel Osmond, Sam Cross, Andreas Hermann, Jonathan Buhot and Sven Fredemann, Physical Review Research, 5, 4, p. 1-11 (2023)
Isotopic Raman broadening due to Anderson localization of harmonic phonons in partially deuterated ice VII and VIII DOI
Mungo Frost, Andreas Hermann, Siegried H. Glenzer and Graeme J. Ackland, Physical Review Research, 5, 4, p. 1-6 (2023)
Synthesis and characterization of XeAr2 under high pressure DOI
Mengnan Wang, Mikhail A. Kuzovnikov, Jack Binns, Xiaofeng Li, Miriam Pena Alvarez, Andreas Hermann, Eugene Gregoryanz and Ross T. Howie, The Journal of Chemical Physics, 159, 13, p. 1-6 (2023)
Ternary Na-P-H superconductor under high pressure DOI
Weiguo Sun, Bole Chen, Xiaofeng Li, Feng Peng, Andreas Hermann and Cheng Lu, Physical Review B, 107, 21, p. 1-7 (2023)
First principles crystal structure prediction DOI
Lewis J. Conway, Chris J. Pickard and Andreas Hermann, Comprehensive Inorganic Chemistry III (Third Edition), Science Direct, 3, p. 393-420 (2023)
Anomalous elasticity of talc at high pressures: Implications for subduction systems DOI
Ye Peng, Mainak Mookherjee, Andreas Hermann, Geeth Manthilake and David Mainprice, Geoscience Frontiers, 13, 4, p. 1-14 (2022)
Temperature-induced electride transition in dense lithium DOI
Yong Wang, JunJie Wang, Andreas Hermann, Shuning Pan, Jiuyang Shi, Hui-Tian Wang, Dingyu Xing and Jian Sun, Physical Review B, 105, 21, p. 1-10 (2022)
Formation and Stability of Dense Methane-Hydrogen Compounds DOI
Umbertoluca Ranieri, Lewis J. Conway, Mary-Ellen Donnelly, Huixin Hu, Mengnan Wang, Philip Dalladay-Simpson, Miriam Pena-Alvarez, Eugene Gregoryanz, Andreas Hermann and Ross T. Howie, Physical Review Letters, 128, 21, p. 1-6 (2022)
Stabilization of S3O4 at High Pressure-Implications for the Sulfur Excess Paradox DOI
Siyu Liu, Pengyue Gao, Andreas Hermann, Guochun Yang, Jian Lv, Yanming Ma, Ho-Kwang Mao and Yanchao Wang, Science Bulletin, 67, 9, p. 971-976 (2022)
Ammonia Mono Hydrate IV: An Attempted Structure Solution DOI
Bernhard Massani, Ciprian G. Pruteanu, Lewis J. Conway, Victor N. Robinson, Andreas Hermann and John S. Loveday, Crystals, 12, 2, p. 1-10 (2022)
Ternary Mg-Nb-H polyhydrides under high pressure DOI
Xilong Dou, Xiaoyu Kuang, Weiguo Sun, Gang Jiang, Cheng Lu and Andreas Hermann, Physical Review B, 104, 22 (2021)
Non-Fermi liquid behaviour below the Néel temperature in the frustrated heavy Fermion magnet UAu2 DOI
Christopher D. O'Neill, Julian L Schmehr, Harry D. J. Keen, Luke Pritchard Cairns, Dmitry A Sokolov, Andreas Hermann, Didier Wermeille, Pascal Manuel, Frank Kruger and Andrew D. Huxley, Proceedings of the National Academy of Sciences (PNAS), 118, 49 (2021)
Superionicity, disorder, and bandgap closure in dense hydrogen chloride DOI1 DOI2
Jack Binns, A. Hermann, M. Pena Alvarez, Mary-Ellen Donnelly, Mengnan Wang, Saori Imada Kawaguchi, Eugene Gregoryanz, Ross T. Howie and Philip Dalladay-Simpson, Science Advances, 7, 36, p. 1-7 (2021)
Two state model for critical points and the negative slope of the melting-curve DOI
Graeme J. Ackland, Hongxiang Zong, Victor Naden Robinson, Sandro Scandolo and Andreas Hermann, Physical Review B, 104, 5, p. 1-11 (2021)
Ab initio study of pressure-induced structural and electronic phase transitions in Ca2RuO4 DOI
Harry D. J. Keen, Stephen R. Julian and Andreas Hermann, Physical Review B, 104, 8, p. 1-8 (2021)
First principles study of dense and metallic nitric sulfur hydrides DOI
Xiaofeng Li, Angus Lowe, Lewis Conway, Maosheng Miao and Andreas Hermann, Communications Chemistry, 4, p. 1-10 (2021)
Ammonium fluoride’s analogy to ice: possibilities and limitations DOI
L J Conway, K Brown, J. S. Loveday and A. Hermann, The Journal of Chemical Physics, 154, 20, p. 1-12 (2021)
Free electron to electride transition in dense liquid potassium DOI
Hongxiang Zong, Victor Naden Robinson, Andreas Hermann, Long Zhao, Sandro Scandolo, Xiangdong Ding and Graeme J. Ackland, Nature Physics (2021)
Rules of formation of H–C–N–O compounds at high pressure and the fates of planetary ices DOI
Lewis J Conway, Chris J. Pickard and Andreas Hermann, Proceedings of the National Academy of Sciences (PNAS), 118, 19, p. 1-7 (2021)
Phase stability and superconductivity of lead hydrides at high pressure DOI
Bole Chen, Lewis J. Conway, Weiguo Sun, Xiaoyu Kuang, Cheng Lu and Andreas Hermann, Physical Review B, 103, 3, p. 1-8 (2021)
Electronically driven 1D cooperative diffusion in a simple cubic crystal DOI
Yong Wang, JunJie Wang, Andreas Hermann, Cong Liu, Hao Gao, Erio Tosatti, Hui-Tian Wang, Dingyu Xing and Jian Sun, Physical Review X, 11, 1, p. 1-14 (2021)
Ionic Phases of Ammonia-Rich Hydrate at High Densities DOI
Wan Xu, Victor Naden Robinson, Xiao Zhang, Hui-Chao Zhang, Mary-Ellen Donnelly, Philip Dalladay-Simpson, Andreas Hermann, Xiao-Di Liu and Eugene Gregoryanz, Physical Review Letters, 126, 1, p. 1-5 (2021)
Second group of high-pressure high-temperature lanthanide polyhydride superconductors DOI
Weiguo Sun, Xiaoyu Kuang, Harry D. J. Keen, Cheng Lu and Andreas Hermann, Physical review B, 102 (2020)
Recoverable high energy compounds by reacting methane and nitrogen under high pressure DOI
Feng Peng, Yanming Ma, Andreas Hermann and Maosheng Miao, Physical Review Materials, 4, 10 (2020)
Changes of Fermi Surface Topology due to the Rhombohedral Distortion in SnTe DOI
Christopher D. O'Neill, Oliver J. Clark, Harry D. J. Keen, Federico Mazzola, Igor Marković, Dmitry A. Sokolov, Andreas Malekos, Phil D. C. King, Andreas Hermann and Andrew D. Huxley, Physical Review B (Condensed Matter), 102, 15 (2020)
Coexistence of plastic and partially diffusive phases in a helium-methane compound DOI
Hao Gao, Cong Liu, Andreas Hermann, Richard J Needs, Chris J. Pickard, Hui-Tian Wang, Dingyu Xing and Jian Sun, National Science Review, 7, 10, p. 1540-1547 (2020)
Synthesis of Superconducting Cobalt Trihydride DOI
Miriam Pena Alvarez, Bin Li, Liam Kelsall, Jack Binns, Philip Dalladay-Simpson, Andreas Hermann, Ross Howie and Eugene Gregoryanz, The Journal of Physical Chemistry Letters, 11, 15, p. 6420-6425 (2020)
Plastic and Superionic Helium Ammonia Compounds under High Pressure and High Temperature DOI
Cong Liu, Hao Gao, Andreas Hermann, Yong Wang, Maosheng Miao, Chris J. Pickard, Richard J Needs, Hui-Tian Wang, Dingyu Xing and Jian Sun, Physical Review X, 10, 2 (2020)
Mechanical properties of tantalum carbide from high-pressure/high-temperature synthesis and first-principles calculations DOI
Weiguo Sun, Xiaoyu Kuang, Hao Liang, Xinxin Xia, Zhengang Zhang, Cheng Lu and Andreas Hermann, Physical Chemistry Chemical Physics (2020)
Plastic and superionic phases in ammonia-water mixtures at high pressures and temperatures DOI
Victor Naden robinson and Andreas Hermann, Journal of Physics: Condensed Matter, 32, 18 (2020)
Praseodymium polyhydrides synthesized at high temperatures and pressures DOI
Miriam Pena Alvarez, Jack Binns, Andreas Hermann, Liam Kelsall, Philip Dalladay-Simpson, Eugene Gregoryanz and Ross Howie, Physical review B, 100, 18 (2019)
Geoscience material structures prediction via CALYPSO methodology (SPECIAL TOPIC: CALYPSO structure prediction methodology and its applications to materials discovery) DOI
Andreas Hermann, Chinese Physics B, 28, 10 (2019)
On a New Nitrogen sX Hydrate from Ice XVII DOI
Bernhard Massani, Lewis Conway, Andreas Hermann and John Loveday, The Journal of Chemical Physics (2019)
First-Principles Prediction of Structures and Properties in Crystals DOI
Andreas Hermann and Dominik Kurzydlowski, Crystals (2019)
Small molecules for modulating protein driven liquid-liquid phase separation in treating neurodegenerative disease DOI
Richard J. Wheeler, Hyun O. Lee, Ina Poser, Arun Pal, Thom Doeleman, Satoshi Kishigami, Sukhleen Kour, Eric Nathaniel Anderson, Lara Marrone, Andreas Hermann et al. (2019)
On the Chain-Melted Phase of Matter DOI
Victor Naden robinson, Hongxiang Zong, Graeme Ackland, Gavin Woolman and Andreas Hermann, Proceedings of the National Academy of Sciences (PNAS) (2019)
High Pressure Hydrocarbons Revisited: From van der Waals Compounds to Diamond DOI
Lewis Conway and Andreas Hermann, Geosciences (2019)
Exotic Hydrogen Bonding in Compressed Ammonia Hydrides DOI
Xianqi Song, Ketao Yin, Yanchao Wang, Andreas Hermann, Jian Lv, Quan Li, Changfeng Chen and Yanming Ma, The Journal of Physical Chemistry Letters (2019)
Recovery of Metastable Dense Bi Synthesized by Shock Compression DOI
M. G. Gorman, Amy Coleman, Richard Briggs, Ryan Mcwilliams, Andreas Hermann, David McGonegle, C A Bolme, A E Gleason, Eric Galtier, H. J. Lee, E Granados, Malcolm McMahon et al., Applied Physics Letters (2019)
Direct Reaction Between Copper and Nitrogen at High Pressures and Temperatures DOI
Jack Binns, Mary-ellen Donnelly, Miriam Pena Alvarez, Mengnan Wang, Eugene Gregoryanz, Andreas Hermann, Philip Dalladay-Simpson and Ross T. Howie, The Journal of Physical Chemistry Letters (2019)
Novel phases in ammonia-water mixtures under pressure DOI
Victor Naden robinson, Miriam Marques, Yanchao Wang, Yanming Ma and Andreas Hermann, The Journal of Chemical Physics, 149 (2018)
Synthesis of Ni2H3 at high temperatures and pressures DOI
Jack Binns, Mary-Ellen Donnelly, Mengnan Wang, Philip Dalladay-Simpson, Ross T. Howie, Andreas Hermann and Eugene Gregoryanz, Physical Review B, 98, 14, p. 140101 (2018)
Ostwald's rule of stages and metastable transitions in the hydrogen–water system at high pressure DOI
M.-E. Donnelly, P. Teeratchanan, C. L. Bull, A. Hermann and J. S. Loveday, Physical Chemistry Chemical Physics, 20, 42, p. 26853-26858 (2018)
Stability of Hydrogen Hydrates from Second-Order Møller–Plesset Perturbation Theory DOI
Jan Kosata, Padryk Merkl, Pattanasak Teeratchanan and Andreas Hermann, The Journal of Physical Chemistry Letters, 9, p. 5624-5629 (2018)
Probing the structural and electronic properties of zirconium doped boron clusters: Zr distorted B12 ligand framework DOI
Weiguo Sun, Xinxin Xia, Cheng Lu, Xiaoyu Kuang and Andreas Hermann, Physical Chemistry Chemical Physics, 20, 36, p. 23740-23746 (2018)
Structural and electronic properties of the alkali metal incommensurate phases DOI
Gavin Woolman, Victor Naden Robinson, Miriam Marqués, Ingo Loa, Graeme J. Ackland and Andreas Hermann, Physical Review Materials, 2, 5 (2018)
Reactivity of He with ionic compounds under high pressure DOI
Zhen Liu, Jorge Botana, Andreas Hermann, Steven Valdez, Eva Zurek, Dadong Yan, Hai-qing Lin and Mao-sheng Miao, Nature Communications, 9, 1 (2018)
Probing the Interactions of O 2 with Small Gold Cluster Au n Q ( n = 2–10, Q = 0, −1): A Neutral Chemisorbed Complex Au5O2 Cluster Predicted DOI
Hong Xiao Shi, Wei Guo Sun, Xiao Yu Kuang, Cheng Lu, Xin Xin Xia, Bo Le Chen and Andreas Hermann, Journal of Physical Chemistry C, 121, 44, p. 24886-24893 (2017)
Stabilization of ammonia-rich hydrate inside icy planets DOI
Victor Naden Robinson, Yanchao Wang, Yanming Ma and Andreas Hermann, Proceedings of the National Academy of Sciences (PNAS), 114, 34, p. 9003-9008 (2017)
A Chiral Gas-Hydrate Structure Common to the Carbon Dioxide-Water and Hydrogen-Water Systems DOI
Dan Amos, Mary-Ellen Donnelly, Pattanasak Teeratchanan, Craig L. Bull, Andrzej Falenty, Werner F. Kuhs, Andreas Hermann and John Loveday, The Journal of Physical Chemistry Letters, 0, ja, p. 4295-4299 (2017)
Prediction of Novel High-Pressure Structures of Magnesium Niobium Dihydride DOI
Chuanzhao Zhang, Guoliang Sun, Jingjing Wang, Cheng Lu, Yuanyuan Jin, Xiaoyu Kuang and Andreas Hermann, ACS Applied Materials & Interfaces, 9, 31, p. 26169-26176 (2017)
Elasticity of phase-Pi (Al3Si2O7(OH)3) - A hydrous aluminosilicate phase DOI
Ye Peng, Mainak Mookherjee, Andreas Hermann, Suraj Bajgain, Songlin Liu and Bernd Wunder, Physics of the Earth and Planetary Interiors, 269, p. 91-97 (2017)
Chemical Bonding at High Pressure DOI
Andreas Hermann, Reviews in Computational Chemistry, Wiley, 30, p. 1-41 (2017)
Inelastic x-ray investigation of the ferroelectric transition in SnTe DOI
Christopher D. O'Neill, Dmitry A. Sokolov, Andreas Hermann, Alexei Bossak, Christopher Stock and Andrew D. Huxley, Physical review B, 95, 14, p. 1-5 (2017)
Evolution of the Structural and Electronic Properties of Medium-Sized Sodium Clusters: A Honeycomb-Like Na20 Cluster DOI
Wei Guo Sun, Jing Jing Wang, Cheng Lu, Xin Xin Xia, Xiao Yu Kuang and Andreas Hermann, Inorganic Chemistry, 56, 3, p. 1241-1248 (2017)
Monoclinic high-pressure polymorph of AlOOH predicted from first principles DOI
Xin Zhong, Andreas Hermann, Yanchao Wang and Yanming Ma, Physical Review B, 94, 22 (2016)
High-pressure phase of brucite stable at Earth's mantle transition zone and lower mantle conditions DOI
Andreas Hermann and Mainak Mookherjee, Proceedings of the National Academy of Sciences (PNAS), 113, 49, p. 13971–13976 (2016)
Deciphering the Structural Evolution and Electronic Properties of Magnesium Clusters: An Aromatic Homonuclear Metal Mg17 Cluster DOI
Xinxin Xia, Xiaoyu Kuang, Cheng Lu, Yuanyuan Jin, Xiaodong Xing, Gabriel Merino and Andreas Hermann, The Journal of Physical Chemistry A, 120, 40, p. 7947-7954 (2016)
Probing the structural evolution of ruthenium doped germanium clusters: Photoelectron spectroscopy and density functional theory calculations DOI
Yuanyuan Jin, Shengjie Lu, Andreas Hermann, Xiaoyu Kuang, Chuanzhao Zhang, Cheng Lu, Hongguang Xu and Weijun Zheng, Scientific Reports, 6, July (2016)
High-pressure phase transitions in rubidium and caesium hydroxides DOI
Andreas Hermann, Physical Chemistry Chemical Physics, 18, p. 16527-16534 (2016)
Insights into the geometries, electronic and magnetic properties of neutral and charged palladium clusters DOI
Xiaodong Xing, Andreas Hermann, Xiaoyu Kuang, Meng Ju, Cheng Lu, Yuanyuan Jin, Xinxin Xia and George Maroulis, Scientific Reports, 6 (2016)
AuO: Evolving from Dis- to Comproportionation and Back Again DOI
Andreas Hermann, Mariana Derzsi, Wojciech Grochala and Roald Hoffmann, Inorganic Chemistry, 55, 3, p. 1278-1286 (2016)
From small fullerenes to the graphene limit: A harmonic force-field method for fullerenes and a comparison to density functional calculations for Goldberg-Coxeter fullerenes up to C980 DOI
Lukas N Wirz, Ralf Tonner, Andreas Hermann, Rebecca Sure and Peter Schwerdtfeger, Journal of Computational Chemistry, 37, 1, p. 10-17 (2016)
Pressure-induced localisation of the hydrogen-bond network in KOH-VI DOI
Andreas Hermann, Malcolm Guthrie, Richard J. Nelmes and John S. Loveday, The Journal of Chemical Physics, 143, 24, p. 244706 (2015)
Light-Element Superconductors DOI
Andreas Hermann, The Lightest Metals: Science and Technology from Lithium to Calcium, Wiley, p. 1-15 (2015)
Study of the Structural and Electronic Properties of Neutral and Charged Niobium-Doped Silicon Clusters: Niobium Encapsulated in Silicon Cages DOI
Xin Xin Xia, Andreas Hermann, Xiao Yu Kuang, Yuan Yuan Jin, Cheng Lu and Xiao Dong Xing, Journal of Physical Chemistry C, 120, 1, p. 677-684 (2015)
Stable Lithium Argon compounds under high pressure DOI
Xiaofeng Li, Andreas Hermann, Feng Peng, Jian Lv, Yanchao Wang, Hui Wang and Yanming Ma, Scientific Reports, 5 (2015)
Prediction of Stable Ruthenium Silicides from First-principles Calculations: Stoichiometries, Crystal Structures, and Physical Properties DOI
Chuan-Zhao Zhang, Xiaoyu Kuang, Yuan-Yuan Jin, Cheng Lu, Dawei Zhou, Peifang Li, Gang Bao and Andreas Hermann, ACS Applied Materials & Interfaces, 7, 48, p. 26776-26782 (2015)
Computational phase diagrams of noble gas hydrates under pressure DOI
Pattanasak Teeratchanan and Andreas Hermann, The Journal of Chemical Physics, 143 (2015)
Exploration of stable stoichiometries, physical properties and hardness in the Rh–Si system: a first-principles study DOI
Jing-Jing Wang, Andreas Hermann, Xiao-Yu Kuang, Yuan-Yuan Jin, Cheng Lu, Chuan-Zhao Zhang, Meng Ju, Meng-Ting Si and Toshiaki Iitaka, RSC Advances, 5, 66, p. 53497-53503 (2015)
Xenon Suboxides Stable under Pressure DOI
Andreas Hermann and Peter Schwerdtfeger, The Journal of Physical Chemistry Letters, 5, 24, p. 4336-4342 (2014)
Lithium hydroxide, LiOH, at elevated densities DOI
Andreas Hermann, N. W. Ashcroft and Roald Hoffmann, The Journal of Chemical Physics, 141, 2 (2014)
Isotopic differentiation and sublattice melting in dense dynamic ice DOI
Andreas Hermann, N. W. Ashcroft and Roald Hoffmann, Physical review B, 88, 21 (2013)
Condensed astatine
Andreas Hermann, Roald Hoffmann and N W Ashcroft, Physical Review Letters, 111, 11, p. 116404 (2013)
Binary compounds of boron and beryllium DOI
Andreas Hermann, N. W. Ashcroft and Roald Hoffmann, Chemistry - A European Journal, 19, 13, p. 4184-4197 (2013)
The close relationships between the crystal structures of MO and MSO4 compounds (M= Group 10, 11 or 12 metal), and predicted structures for AuO and PtSO4 DOI
Mariana Derzsi, Andreas Hermann, Roald Hoffmann and Wojciech Grochala, European journal of inorganic chemistry, 2013, 29, p. 5094–5102 (2013)
From Wade-Mingos to Zintl-Klemm at 100GPa DOI
Andreas Hermann, Alexandra McSorley, N. W. Ashcroft and Roald Hoffmann, Journal of the American Chemical Society, 134, 45, p. 18606-18618 (2012)
LiB and its boron-deficient variants under pressure DOI
Andreas Hermann, Ainhoa Suarez-Alcubilla, Idoia G. Gurtubay, Li-Ming Yang, Aitor Bergara, N. W. Ashcroft and Roald Hoffmann, Physical review B, 86, 14 (2012)
Making sense of boron-rich binary Be-B phases. DOI
Andreas Hermann, N. W. Ashcroft and Roald Hoffmann, Inorganic Chemistry, 51, 16, p. 9066-9075 (2012)
LiBeB: A predicted phase with structural and electronic peculiarities DOI
Andreas Hermann, B. L. Ivanov, N. W. Ashcroft and Roald Hoffmann, Physical review B, 86, 1, p. 014104 (2012)
Short range order at the amorphous TiO(2)-water interface probed by silicic acid adsorption and interfacial oligomerization: an ATR-IR and 29Si MAS-NMR study. DOI
Peter J. Swedlund, Yantao Song, Zoran D. Zujovic, Michél K. Nieuwoudt, Andreas Hermann and Grant J. McIntosh, Journal of Colloid and Interface Science, 368, 1, p. 447-455 (2012)
High pressure ices DOI
Andreas Hermann, N. W. Ashcroft and Roald Hoffmann, Proceedings of the National Academy of Sciences (PNAS), 109, 3, p. 745-750 (2012)
Blueshifting the Onset of Optical UV Absorption for Water under Pressure DOI
Andreas Hermann and Peter Schwerdtfeger, Physical Review Letters, 106, 18, p. 187403 (2011)
Convergence of the Møller-Plesset perturbation series for the fcc lattices of neon and argon DOI
Peter Schwerdtfeger, Behnam Assadollahzadeh and Andreas Hermann, Physical review B, 82, 20, p. 205111 (2010)
Spin-orbit effects in structural and electronic properties for the solid state of the group-14 elements from carbon to superheavy element 114 DOI
Andreas Hermann, Juergen Furthmueller, Heinz W. Gaeggeler and Peter Schwerdtfeger, Physical review B, 82, 15 (2010)
Nucleation of antiferromagnetically coupled chromium dihalides: from small clusters to the solid state. DOI
Brian Vest, Andreas Hermann, Peter D W Boyd and Peter Schwerdtfeger, Inorganic Chemistry, 49, 7, p. 3169-3182 (2010)
Complete basis set limit second-order Mø ller-Plesset calculations for the fcc lattices of neon, argon, krypton, and xenon. DOI
Andreas Hermann and Peter Schwerdtfeger, The Journal of Chemical Physics, 131, 24, p. 244508 (2009)
The unusual solid-state structure of mercury oxide: relativistic density functional calculations for the group 12 oxides ZnO, CdO, and HgO. DOI
Susan Biering, Andreas Hermann, Jürgen Furthmüller and P Schwerdtfeger, The Journal of Physical Chemistry A, 113, 45, p. 12427-12432 (2009)
Alpha-CrCl2 under pressure: prediction of a metallic phase transition. DOI
Andreas Hermann and Peter Schwerdtfeger, The Journal of Physical Chemistry A, 113, 43, p. 12022-12027 (2009)
Equation of state for solid neon from quantum theory
P. Schwerdtfeger and Andreas Hermann, Physical review B, 80, p. 064106 (2009)
Ground-State Properties of Crystalline Ice from Periodic Hartree-Fock Calculations and a Coupled-Cluster-Based Many-Body Decomposition of the Correlation Energy DOI
Andreas Hermann and Peter Schwerdtfeger, Physical Review Letters, 101, 18 (2008)
LiNbO3 ground- and excited-state properties from first-principles calculations
W G Schmidt, M Albrecht, S Wippermann, S Blankenburg, E Rauls, F Fuchs, C Rödl, J Furthmüller and A Hermann, Physical review B, 77, p. 35106 (2008)
Resolving the Optical Spectrum of Water: Coordination and Electrostatic Effects DOI
A Hermann, W G Schmidt and P Schwerdtfeger, Physical Review Letters, 100, p. 207403 (2008)
The Elusive Structure of CrCl2 - A Combined Computational and Gas-Phase Electron-Diffraction Study
B Vest, Z Varga, M Hargittai, A Hermann and P Schwerdtfeger, Chemistry - A European Journal (2008)
Theoretical study of the localization of excess electrons at the surface of ice
A Hermann, P Schwerdtfeger and W G Schmidt, Journal of Physics: Condensed Matter, 20, p. 225003 (2008)
Convergence of the many-body expansion of interaction potentials: From van der Waals to covalent and metallic systems
A Hermann, Robert P Krawczyk, M Lein, P Schwerdtfeger, I P Hamilton and J J P Stewart, Physical Review A, 76, p. 13202 (2007)
The Search for the Species with the Highest Coordination Number
A Hermann, M Lein and P Schwerdtfeger, Angewandte Chemie International Edition, 46, p. 2444 (2007)
Strongly bonded water monomers on the ice Ih basal plane: Density-functional calculations DOI
C. Thierfelder, A. Hermann, P. Schwerdtfeger and W. G. Schmidt, Physical review B, 74, 4 (2006)
Adsorption of water on chlorine-terminated Si(111) from first principles: Substrate-induced ordering versus intermolecular interactions DOI
S Biering, A Hermann and WG Schmidt, Physical review B, 73, 23 (2006)
Si(001) surface optical anisotropies induced by $-conjugated overlayers and oxidation DOI
W G Schmidt, A Hermann, F Fuchs and F Bechstedt, Current applied physics, 6, p. 525 (2006)
Density functional study of alpha-CrCl2: Structural, electronic, and magnetic properties DOI
A Hermann, B Vest and P Schwerdtfeger, Physical review B, p. 224402 (2006)
Large-scale Simulations for understanding surface optical spectra
WG Schmidt, A Hermann, F Fuchs and N Preuss, HIGH PERFORMANCE COMPUTING IN SCIENCE AND ENGINEERING '05, Springer, p. 73-84 (2006)
Organic molecule adsorption on solid surfaces: chemical bonding, mutual polarisation and dispersion interaction DOI
W G Schmidt, K Seino, M Preuss, A Hermann, F Ortmann and F Bechstedt, Applied Physics A: Materials Science and Processing, 85, p. 387 (2006)
Optical response of pi-conjugated molecular monolayer adsorbed on the semiconductor Si(001) surface: A first-principles study DOI
A Hermann, WG Schmidt and F Bechstedt, Physical review B, 71, 15 (2005)
Phenanthrenequinone Adsorbed on Si(001): Geometries, Electronic Properties, and Optical Response
A Hermann, W G Schmidt and F Bechstedt, Journal of Physical Chemistry B (Soft Condensed Matter and Biophysical Chemistry), 109, p. 7928-7933 (2005)
Oxidation and organic molecule induced changes of the Si surface optical anisotropy: ab initio predictions
W G Schmidt, F Fuchs, A Hermann, K Seino, F Bechstedt, R Passmann, M Wahl, M Gensch, K Hinrichs, N Esser et al., Journal of Physics: Condensed Matter, 16, p. S4323-S4334 (2004)

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Publications by Andreas Hermann