Computation and Theory V

Chair: Miguel Martinez-Canales



15:00 Nucleating different coordination in crystal under pressure: Study of B1-B2 transition in NaCl by metadynamics
  Matej Badin - Comenius University, Slovakia


15:20 Benchmarking the Importance of Dispersion in Proposed High Temperature Superconductors
  Lazar Novakovic - University of Nevada, Las Vegas, USA


15:40 First-principle study of the Transition Metal Dichalcogenide TcS2
  Dean Sayre - University of Nevada, Las Vegas, USA


16:00 Redefining the phase diagram of carbon dioxide within the quasi-harmonic approximation
  Beatriz Cogollo - University of Cartagena, Colombia


16:20 End of Session

Key dates

Abstract submission deadline [extended]:

21 May 2021

Registration deadline: [still available]

21 July 2021


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