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pro vyhledávání: '"Martyna, Glenn J."'
The GW method is a many-body electronic structure technique capable of generating accurate quasiparticle properties for realistic systems spanning physics, chemistry, and materials science. Despite its power, GW is not routinely applied to large comp
Externí odkaz:
http://arxiv.org/abs/1904.10512
Autor:
Kim, Minjung, Mandal, Subhasish, Mikida, Eric, Chandrasekar, Kavitha, Bohm, Eric, Jain, Nikhil, Li, Qi, Martyna, Glenn J., Kale, Laxmikant, Ismail-Beigi, Sohrab
The GW method, which can describe accurately electronic excitations, is one of the most widely used ab initio electronic structure technique and allows the physics of both molecular and condensed phase materials to be studied. However, the applicatio
Externí odkaz:
http://arxiv.org/abs/1810.07772
Publikováno v:
Phys. Rev. B 101, 035139 (2020)
The GW method is a many-body approach capable of providing quasiparticle bands for realistic systems spanning physics, chemistry, and materials science. Despite its power, GW is not routinely applied to large complex materials due to its computationa
Externí odkaz:
http://arxiv.org/abs/1707.06752
Publikováno v:
Carbon, Volume 133, 2018, Pages 369-378
Porous graphene structures, also termed graphene nanomeshes (GNMs), are garnering increasing interest due to their potential application to important technologies such as chemical sensing, ion-filtration, and nanoelectronics. Semiconducting GNMs desi
Externí odkaz:
http://arxiv.org/abs/1612.00994
One key factor that limits the predictive power of molecular dynamics simulations is the accuracy and transferability of the input force field. Force fields are challenged by heterogeneous environments, where electronic responses give rise to biologi
Externí odkaz:
http://arxiv.org/abs/1609.03077
Large area graphene sheets grown by chemical vapor deposition can potentially be employed as a transparent electrode in photovoltaics if their sheet resistance can be significantly lowered, without any loss in transparency. Here, we report the fabric
Externí odkaz:
http://arxiv.org/abs/1512.04617
Autor:
Kuroda, Marcelo A., Jiang, Zhengping, Povolotskyi, Michael, Klimeck, Gerhard, Newns, Dennis M., Martyna, Glenn J.
Mixed valence rare-earth samarium compounds SmX (X=Se,Te) have been recently proposed as candidate materials for use in high-speed, low-power digital switches driven by stress induced changes of resistivity. At room temperature these materials exhibi
Externí odkaz:
http://arxiv.org/abs/1410.4740
Autor:
Maarouf, Ahmed A., Nistor, Razvan A., Afzali-Ardakani, Ali, Kuroda, Marcelo A., Newns, Dennis M., Martyna, Glenn J.
Publikováno v:
Chem. Theory Comput., 9, 2398 (2013)
Graphene nanomeshes (GNM's) formed by the creation of pore superlattices in graphene, are a possible route to graphene-based electronics due to their semiconducting properties, including the emergence of fractional eV band gaps. The utility of GNM's
Externí odkaz:
http://arxiv.org/abs/1311.3660
Autor:
Kim, Minjung, Mandal, Subhasish, Mikida, Eric, Chandrasekar, Kavitha, Bohm, Eric, Jain, Nikhil, Li, Qi, Kanakagiri, Raghavendra, Martyna, Glenn J., Kale, Laxmikant, Ismail-Beigi, Sohrab
Publikováno v:
In Computer Physics Communications November 2019 244:427-441
Publikováno v:
In Carbon July 2018 133:369-378