Researcher Portfolio

 
   

Vazquez-Ramirez, Daniel

Bioprocess Engineering, Max Planck Institute for Dynamics of Complex Technical Systems, Max Planck Society  

 

Researcher Profile

 
Position: Bioprocess Engineering, Max Planck Institute for Dynamics of Complex Technical Systems, Max Planck Society
Researcher ID: https://pure.mpg.de/cone/persons/resource/persons125738

External references

 
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Publications

 
  (1 - 25 of 36)
 : Neugebauer, J., Stockem, I., Hegde, O., Freysoldt, C., Körmann, F., Hickel, T., & Alling, B. (2019). Ab initio description of coupling phenomena between magnetic and structural degrees of freedom. Talk presented at EASTMAG2019 – VII Euro-Asian Symposium “Trends in Magnetism”. Jekaterinburg, Russia. 2019-09-08 - 2019-09-13. [PubMan] : Pakornchote, T., Ektarawong, A., Alling, B., Pinsook, U., Tancharakorn, S., Busayaporn, W., & Bovornratanaraks, T. (2019). Phase stabilities and vibrational analysis of hydrogenated diamondized bilayer graphenes: A first principles investigation. Carbon, 146, 468-475. doi:10.1016/j.carbon.2019.01.088. [PubMan] : Stockem, I., Bergman, A., Glensk, A., Hickel, T., Körmann, F., Grabowski, B., Neugebauer, J., & Alling, B. (2018). Anomalous Phonon Lifetime Shortening in Paramagnetic CrN Caused by Spin-Lattice Coupling: A Combined Spin and Ab Initio Molecular Dynamics Study. Physical Review Letters, 121(12): 125902. doi:10.1103/PhysRevLett.121.125902. [PubMan] : Fallqvist, A., Olovsson, W., Alling, B., Palisaitis, J., Belov, M. P., Abrikosov, I. A., Hultman, L., & Persson, P. O. Å. (2018). Resolving the debated atomic structure of the metastable cubic SiNx tissue phase in nanocomposites with TiN. Physical Review Materials, 2(9): 093608. doi:10.1103/PhysRevMaterials.2.093608. [PubMan] : Ekholm, M., Gambino, D., Jönsson, H. J. M., Tasnádi, F., Alling, B., & Abrikosov, I. A. (2018). Assessing the SCAN functional for itinerant electron ferromagnets. Physical Review B, 98(9): 094413. doi:10.1103/PhysRevB.98.094413. [PubMan] : Gambino, D., & Alling, B. (2018). Lattice relaxations in disordered Fe-based materials in the paramagnetic state from first principles. Physical Review B, 98(6): 064105. doi:10.1103/PhysRevB.98.064105. [PubMan] : Ektarawong, A., & Alling, B. (2018). Stability of SnSe1-xSx solid solutions revealed by first-principles cluster expansion. Journal of Physics: Condensed Matter, 30(29): 29LT01. doi:10.1088/1361-648X/aacb9c. [PubMan] : Ektarawong, A., Simak, S. I., & Alling, B. (2018). Structural models of increasing complexity for icosahedral boron carbide with compositions throughout the single-phase region from first principles. Physical Review B, 97(17): 174104. doi:10.1103/PhysRevB.97.174104. [PubMan] : Gharavi, M., Armiento, R., Alling, B., & Eklund, P. (2018). Theoretical study of phase stability, crystal and electronic structure of MeMgN2 (Me = Ti, Zr, Hf) compounds. Journal of Materials Science: Materials in Electronics, 53(6), 4294-4305. doi:10.1007/s10853-017-1849-0. [PubMan] : Mozafari, E., Alling, B., Belov, M. P., & Abrikosov, I. A. (2018). Effect of the lattice dynamics on the electronic structure of paramagnetic NiO within the disordered local moment picture. Physical Review B, 97(3): 035152. doi:10.1103/PhysRevB.97.035152. [PubMan] : Kerdsongpanya, S., Hellman, O., Sun, B., Koh, Y. K., Lu, J., Van Nong, N., Simak, S. I., Alling, B., & Eklund, P. (2017). Phonon thermal conductivity of scandium nitride for thermoelectrics from first-principles calculations and thin-film growth. Physical Review B, 96(19): 195417. doi:10.1103/PhysRevB.96.195417. [PubMan] : Gambino, D., Sangiovanni, D. G., Alling, B., & Abrikosov, I. A. (2017). Nonequilibrium ab initio molecular dynamics determination of Ti monovacancy migration rates in B1 TiN. Physical Review B, 96(10): 104306. doi:10.1103/PhysRevB.96.104306. [PubMan] : Ektarawong, A., Simak, S. I., & Alling, B. (2017). First-principles prediction of stabilities and instabilities of compounds and alloys in the ternary B-As-P system. Physical Review B, 96(2): 024202. doi:10.1103/PhysRevB.96.024202. [PubMan] : Landälv, L., Lu, J., Spitz, S., Leiste, H., Ulrich, S., Johansson-Jöesaar, M. P., Ahlgren, M., Göthelid, E., Alling, B., Hultman, L., Stüber, M., & Eklund, P. (2017). Structural evolution in reactive RF magnetron sputtered (Cr,Zr)2O3 coatings during annealing. Acta Materialia, 131, 543-552. doi:10.1016/j.actamat.2017.03.063. [PubMan] : Stockem, I., & Alling, B. (2017). Interdependence of the spin and lattice dynamics of CrN in the high temperature paramagnetic phase. Talk presented at DPG Frühjahrstagung. Dresden, Germany. 2017-03-19 - 2017-03-24. [PubMan] : Ektarawong, A., Simak, S. I., & Alling, B. (2017). Thermodynamic stability and properties of boron subnitrides from first principles. Physical Review B, 95(6): 064206. doi:10.1103/PhysRevB.95.064206. [PubMan] : Mockute, A., Palisaitis, J., Alling, B., Berastegui, P., Broitman, E., Näslund, L. Å., Nedfors, N., Lu, J., Jensen, J. M., Hultman, L., Patscheider, J., Jansson, U., Persson, P. O. Å., & Rosén, J. A. (2017). Age hardening in (Ti1 − xAlx)B2 + Δ thin films. Scripta Materialia, 127, 122-126. doi:10.1016/j.scriptamat.2016.09.021. [PubMan] : Kerdsongpanya, S., Sun, B., Eriksson, F., Jensen, J. A. D., Lu, J., Koh, Y. K., Nong, N., Balke, B., Alling, B., & Eklund, P. (2016). Experimental and theoretical investigation of Cr1-xScxN solid solutions for thermoelectrics. Journal of Applied Physics, 120(21): 215103. doi:10.1063/1.4968570. [PubMan] : Körmann, F., Alling, B., Grabowski, B., Dutta, B., Hickel, T., & Neugebauer, J. (2016). Parameter-free Computational Design of Magnetic Materials – Recent Advances in Ab Initio Techniques of Coupled Lattice and Spin Fluctuations. Talk presented at MRS Fall Meeting 2016. Boston, MA, USA. 2016-11-27 - 2016-12-02. [PubMan] : Shulumba, N., Hellman, O., Raza, Z., Alling, B., Barrirero, J., Mücklich, F. T., Abrikosov, I. A., & Odén, M. (2016). Lattice vibrations change the solid solubility of an alloy at high temperatures. Physical Review Letters, 117(20): 205502. doi:10.1103/PhysRevLett.117.205502. [PubMan] : Dutta, B., Körmann, F., Alling, B., Grabowski, B., Hickel, T., & Neugebauer, J. (2016). Interaction of magnetic and lattice degrees of freedom. Poster presented at International Workshop on Ab initio Description of Iron and Steel: Mechanical Properties (ADIS 2016), Ringberg Castle, Tegernsee, Germany. [PubMan] : Mozafari, E., Shulumba, N., Steneteg, P., Alling, B., & Abrikosov, I. A. (2016). Finite-temperature elastic constants of paramagnetic materials within the disordered local moment picture from ab initio molecular dynamics calculations. Physical Review B, 94(5): 054111. doi:10.1103/PhysRevB.94.054111. [PubMan] : Ektarawong, A., Simak, S. I., & Alling, B. (2016). Carbon-rich icosahedral boron carbides beyond B4 C and their thermodynamic stabilities at high temperature and pressure from first principles. Physical Review B, 94(5): 054104. doi:10.1103/PhysRevB.94.054104. [PubMan] : Olovsson, W., Alling, B., & Magnuson, M. (2016). Structure and Bonding in Amorphous Cr1-xCx Nanocomposite Thin Films: X-ray Absorption Spectra and First-Principles Calculations. The Journal of Physical Chemistry C, 120(23), 12890-12899. doi:10.1021/acs.jpcc.6b03608. [PubMan] : Alling, B., Körmann, F., Grabowski, B., Glensk, A., Abrikosov, I. A., & Neugebauer, J. (2016). Strong impact of lattice vibrations on electronic and magnetic properties of paramagnetic Fe revealed by disordered local moments molecular dynamics. Physical Review B, 93(22): 224411. doi:10.1103/PhysRevB.93.224411. [PubMan]