Los Alamos National Labs with logo 2021

Physics and Chemistry of Materials

Developing new science and technologies needed for the national security of the United States by understanding how basic forces operating at the atomic level manifest themselves in the properties of matter at the macroscopic level.

  • Molecular docking simulations

    Molecular docking simulations

    The influence of small organic molecules on the operation and mechanism of electron transfer in enzymatic anodes.

  • Molecular docking simulations

    Molecular docking simulations

    The influence of small organic molecules on the operation and mechanism of electron transfer in enzymatic anodes.

  • silver nanowire

    Stretching a silver nanowire at 105 √Ö/s using parallel replica dynamics on the LANL Roadrunner supercomputer

  • physics chemistry

  • physics chemistry

  • physics chemistry

  • physics chemistry

Contact  

  • Deputy Group Leader
  • Sergei Tretiak
  • Email
  • Administrator
  • Courtney Dal Porto
  • Email

Fundamental and applied theoretical research on the physics and chemistry of materials

The Theoretical Division has been a primary component of the Lab since its formation and the pursuit of basic scientific understanding of materials has been it's mission. The Physics and Chemistry of Materials group, also known as T-1, leads that effort.
People
Staff
  • James Colgan, Group Leader
  • Sergei Tretiak, Deputy Group Leader
  • Courtney Dal Porto, Administrator
  • Melissa Day, Administrator
  • Boian Alexandrov
  • Tariq Aslam
  • John Barber
  • Kipton Barros
  • Leonid Burakovsky
  • Marc Cawkwell
  • Joshua Coe
  • Lee Collins
  • Galen Craven
  • Scott Crockett
  • Tinka Gammel
  • Timothy Germann
  • Brendan Gifford
  • Carl Greeff
  • Troy Holland
  • Axinte Ionita
  • Ryan Jadrich
  • Julie Jung
  • Brian Kendrick
  • David Kilcrease
  • Edward Kober
  • Jeffery Leiding
  • Beth Lindquist
  • Katie Maerzke
  • Nithin Mathew
  • Ralph Menikoff
  • Richard Alma Messerly
  • Benjamin Nebgen
  • Tammie Nelson
  • Christian Negre
  • Amanda Neukirch
  • Anders Niklasson
  • Travis Peery
  • Danny Perez
  • Romain Perriot
  • Cynthia Reichhardt
  • Sven Rudin
  • Travis Sjostrom
  • Christopher Ticknor
  • Kirill Velzhanin
  • Gaoxue Wang
  • Alexander White
  • Ping Yang
  • Mark Zammit
  • Yu Zhang
Postdocs
  • Somendu Bagchi
  • Samuel Richard Battey
  • Zachary James Bergstrom
  • Daniel James Burrill
  • Ondrej Certik
  • Joshua David Finkelstein
  • Andrew Garmon
  • Adela Habib
  • Patrick James Hollebon
  • Jan Janssen
  • Joseph Kasper
  • Ashutosh Kumar
  • Bo Li
  • Laura Lopes-Silva
  • J.EduardoLozano Sanchez
  • Xiaoyao (Jade) Peng
  • Nirmal Kumar Rai
  • Vidushi Sharma
  • Huajing Song
  • Michael Taylor
  • Lei Xu
  • Guoqing Zhou
Students
  • Andrew Michael Alvardo
  • Rachel Anderson
  • Emma Archer
  • Manav Bhati
  • Kamron Groves Brinkhoff
  • Michael Anatol Chigaev
  • Comaskey
  • Tayra J. Eidenbenz
  • Aaron Arth Forde
  • Jennie Gao
  • Andre Green
  • Kazi Kabir
  • Mehmet Kaymak
  • Noor Md Shahriar Khan
  • Namita Kharat
  • Sergey Igorevich Magedov
  • Brendon Miller
  • Carlos Adria Mora Perez
  • Katarina Nichols
  • Ryan Park
  • Quinn Parker
  • Filipe Pereiro
  • Aaron Philip
  • Geeta Sachdeva
  • Michael Neil Sakano
  • Brandon Sanders
  • Jacob Spurlock
  • Michael Frederick Tynes
  • Radoslav Vuchkov
  • Braden Michael Weight
  • Ziyan Zhang
Guests/Affiliates
  • Nestor Aguirre
  • Jean Z. Clerouin
  • George Csanak
  • Jeurgen Eckert
  • S. Fernandez-Alberti
  • Giulia De Lorenzi-Venneri
  • David Gomez
  • Ivana Gonzales
  • James (JD) Johnson
  • Kai Kadau
  • Maksim Kulichenko
  • Christopher Patterson
  • Michael Pindzola
  • Ramon Ravelo
  • Antonio Redondo
  • Milton Shaw
  • Thomas Swinburne
  • Thomas Vogel
  • Arthur Voter
  • Duane Wallace
Projects
  • Development and application of theory and techniques for calculating the electronic properties of molecules, solids, and liquids, atomistic simulations of materials, the dynamics and kinetics of chemical reactions
  • Equation of state and thermodynamics; mechanical properties’ reactive burn and flow, atomic structure and collision theory, catalysis, opacities and the physics of hot and warm dense matter
Research
  • Advanced techniques using quantitative image analysis for applications in material science and surveillance
  • Electronic structure of actinides
  • Equation of state, hydrodynamic analysis, energetic materials, shock physics
  • Thermal and statistical mechanics properties and microscopic, mesoscopic and continuum-level mechanical behavior of materials
Applications
  • Simple metals
  • Transition metals and actinide elements
  • Molecules
  • Alloys and compounds’ radioactive properties of hot dense matter
  • Polymers
  • Organics and energetic materials
  • Theory and technologies for energy security
Databases

Equation-of-State Database

SESAME Library: a data collection of equation of state for about 150 materials simple elements, compounds, metals, minerals, polymers, and mixtures.


Liquid Dynamics


Mechanics of Materials