Background

I have been working on computational atomistic physics problems from the early stages of my education. I have been involved in both model development (empirical potential design, non-adiabatic dynamics) as well as large-scale simulations (radiation damage, defect energetics). I have worked on methods ranging from first principles (density functional theory) to more empirical molecular dynamics and Monte Carlo.

During my PhD studies I worked in international European Union project RADinterfaces, where I studied radiation damage in nanoscale multilayer metallic systems, where I collaborated closely with a group in Uppsala University (Mattias Klintenberg). In addition I collaborated and visited scientists in Los Alamos National Laboratory (Alfredo Caro) as well as Oak Ridge National Laboratory (Roger Stoller, Malcolm Stocks).

I joined the quantum simulations group at LLNL as a postdoctoral scientist in 2017 under the supervision of Alfredo Correa. I have been working on non-adiabatic processes in high entropy alloys under the "Energy Dissipation to Defect Evolution" EFRC project, where I studied the energy transfer between electrons and ions.

Research Interests

• Model development for atomistic simulations
  • Langevin based non-adiabatic models
  • Empirical potential development
  • Hybrid DFT classical MD/MC approaches
• Software development for atomistic simulations (C, C++, MPI)
• Time-dependent density functional theory calculations
• Density functional theory calculations
• Molecular dynamics
• Non-adiabatic/non-equilibrium processes
• Electron-phonon coupling modelling
• Laser excitations of matter

Orcid and Google Scholar

My ORCID Page

My Google Scholar Page

PhD - Physics, University of Tartu, Estonia (2016)

MSc - Solid-State Theory, University of Tartu, Estonia (2010)

BSc - Physics, University of Tartu, Estonia (2008)

• "Langevin dynamics with spatial correlations as a model for electron-phonon coupling"
  A Tamm, M Caro, A Caro, G Samolyuk, M Klintenberg, AA Correa
  Physical Review Letters 120 (18), 185501 (doi: 10.1103/PhysRevLett.120.185501)
• "Role of electrons in collision cascades in solids. I. Dissipative model"
  M Caro, A Tamm, AA Correa, A Caro
  Physical Review B 99 (17), 174301 (doi: 10.1103/PhysRevB.99.174301)
• "Role of electrons in collision cascades in solids. II. Molecular dynamics"
  A Tamm, M Caro, A Caro, AA Correa
  Physical Review B 99 (17), 174302 (doi: 10.1103/PhysRevB.99.174302)
• "Impact of Short-Range Forces on Defect Production from High-Energy Collisions"
  RE Stoller, A Tamm, LK Béland, GD Samolyuk, GM Stocks, A Caro, ...
  Journal of chemical theory and computation 12 (6), 2871-2879 (doi: 10.1021/acs.jctc.5b01194)
• "Atomic-scale properties of Ni-based FCC ternary, and quaternary alloys"
  A Tamm, A Aabloo, M Klintenberg, M Stocks, A Caro
  Acta Materialia 99, 307-312 (doi: 10.1016/j.actamat.2015.08.015)
• "First-principles study of point defects at a semicoherent interface"
  E Metsanurk, A Tamm, A Caro, A Aabloo, M Klintenberg
  Scientific reports 4, 7567 (doi: 10.1038/srep07567)