Search Result "first-principles simulation"
First-principles Simulation of Elastic Constants and Electronic Properties of GaN
Journal: Current Physical Chemistry
Volume: 4 Issue: 1 Year: 2014 Page: 65-70
Author(s): Julio R. Sambrano,Elen C.M. `Toniatto
First Principles Computational Biochemistry with deMon2k
Ebook: Frontiers in Computational Chemistry
Volume: 2 Year: 2015
Author(s): A. Alvarez-Ibarra,P. Calaminici,A. Goursot,C. Z. Gómez-Castro,R. Grande-Aztatzi,T. Mineva,D. R. Salahub,J. M. Vásquez-Pérez,A. Vela,B. Zuniga-Gutierrez,A. M. Köster
Doi: 10.2174/9781608059782115020009
Magnetism in CdV2O4 from First Principles
Journal: Current Physical Chemistry
Volume: 3 Issue: 4 Year: 2013 Page: 485-492
Author(s): Yu-Hua Zhang,Jian Meng,Carlton A. Taft
Discrete Event System Simulation
Ebook: Intelligent Technologies for Automated Electronic Systems
Volume: 1 Year: 2024
Author(s):
Doi: 10.2174/9789815179514124010007
First-Principles Modeling of Biological Systems and Structure-Based Drug-Design
Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 1 Year: 2013 Page: 15-34
Author(s): Jacopo Sgrignani,Alessandra Magistrato
Simulation, Intelligence and Agents: Exploring the Synergy
Ebook: Current and Future Developments in Artificial Intelligence
Volume: 1 Year: 2017
Author(s): Nasser Ghasem-Aghaee,Tuncer Ãren,Levent Yilmaz
Doi: 10.2174/9781681085029117010005
Computer Simulation of Antimicrobial Peptides
Journal: Current Medicinal Chemistry
Volume: 14 Issue: 2 Year: 2007 Page: 2789-2798
Author(s): Edit Matyus, Christian Kandt, D. Peter Tieleman
First Principle Study of Oxygen Diffusion on Uranium Nitride UN (001) Surface with Uranium or Nitrogen Vacancies
Journal: Micro and Nanosystems
Volume: 7 Issue: 2 Year: 2015 Page: 124-130
Author(s): T. Zergoug,S.E.H. Abaidia,A. Nedjar
Competition between Spin Excitation and Kondo Correlation in MagneticMolecular Junctions: Theoretical Insight from First-principles-based Simulations
Journal: Current Chinese Science
Volume: 2 Issue: 4 Year: 2022 Page: 310-324
Author(s):
Molecular Dynamics Simulation in RNA Interference
Journal: Current Medicinal Chemistry
Volume: 21 Issue: 17 Year: 2014 Page: 1968-1975
Author(s): Xia Wang,Yonghua Wang,Lei Zheng,Jianxin Chen