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DTSTAMP:20220812T074334Z
LOCATION:Nairobi Room
DTSTART;TZID=Europe/Stockholm:20220627T133000
DTEND;TZID=Europe/Stockholm:20220627T140000
UID:submissions.pasc-conference.org_PASC22_sess115_msa116@linklings.com
SUMMARY:Digitalizing 2D Materials Research
DESCRIPTION:Minisymposium\n\nDigitalizing 2D Materials Research\n\nThygese
 n\n\nAtomically thin two-dimensional (2D) materials represent a rapidly mo
 ving frontier of condensed matter physics. The reduced phase space and low
  dielectric screening equip these extremely thin materials with unique phy
 sical properties, which can be further tuned by external probes or by stac
 king the 2D materials into van der Waals heterostructures. In this talk, I
  will discuss how automated computational workflows can be used to efficie
 ntly characterize prospect 2D materials in-silico and how they can help to
  identify novel compounds with interesting properties, such as ferromagnet
 ic order, non-trivial band topologies, and strong (non)linear optical resp
 onse [1]. Our high-throughput calculations are performed using the Atomic 
 Simulation Recipes (ASR), which is a recently developed Python framework f
 or constructing and working with computational workflows [2]. In the last 
 part of the talk, I will zoom in on the fascinating physics of 2D excitons
 . I will describe new types of excitonic states in 2D semiconductor hetero
 structures [3] and illustrate how dielectric engineering provides an elega
 nt means to modify the electronic states of a 2D materials without comprom
 ising the structural integrity of the material. References: [1] 2D Materia
 ls 8, 044002 (2021); [2] Computational Materials Science 199, 110731 (2021
 ); [3] Nature Nanotechnology, https://doi.org/10.1038/s41565-021-00916-1\n
 \nDomain: Chemistry and Materials
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