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