UROP Research Mentor Project Submission Portal: Submission #838

serial: '838'
sid: '14816'
uuid: ec5cec0d-1d1b-40ba-b8af-bf7b0e6e88a8
uri: /urop-research-mentor-project-submission-portal
created: '1723927860'
completed: '1723928045'
changed: '1726594876'
in_draft: '0'
current_page: ''
remote_addr: 217.180.196.79
uid: '0'
langcode: en
webform_id: urop_project_proposal_portal
entity_type: node
entity_id: '1116'
locked: '0'
sticky: '0'
notes: ''
metatag: meta
data:
  roundtable_info: {  }
  approximately_how_many_hours_a_week_would_the_research_assistant: '5'
  are_you_currently_looking_for_students_: 'No'
  confirmation_1: '1'
  contact_email_fsu_email: ''
  contact_email_fsu_email2: ''
  contact_email_fsu_email_if_affiliated_: chuang3@fsu.edu
  faculty_advisor_confirmation: ''
  faculty_advisor_name: ''
  faculty_advisor_s_fsu_email: ''
  fsu_college: 'Arts and Sciences'
  fsu_department_if_applicable_: 'Department of Scientific Computing '
  headshot_optional_: '45171'
  if_the_project_location_is_off_campus_does_the_student_need_to_p: ''
  mentoring_philosophy: 'My mentoring philosophy is to help students learn skills and knowledge that will benefit their future careers. The student will have ample time to conduct the research independently. My role is to guide and support the student throughout the project. The student is encouraged to explore any related topics of interest during the course of the project.'
  mentor_handbook_and_faqs: '1'
  name_of_other_faculty_collaborator_if_applicable_: ''
  number_of_assistants_needed_faculty_postdoc_max_6_graduate_stude: '1'
  other_faculty_collaborator_s_preferred_pronouns: ''
  overall_research_project_description: |
    Alloys play a crucial role in the industry, serving as the foundation for various applications. Examples include high-strength, lightweight aluminum alloys used in aircraft and automobile structures, nickel and cobalt-based superalloys that retain their strength at high temperatures in jet engines, and high-entropy alloys with potential applications in catalysis. Today’s workhorse for materials simulations is the Kohn-Sham density functional theory (KS-DFT). Unfortunately, large-scale KS-DFT simulations of alloys are computationally very expensive. On the other hand, large systems are often required to obtain meaningful simulations of alloys due to their complex nature. An alternative method for large-scale simulations of metals and alloys is the orbital-free DFT, which is a simplified version of KS-DFT by avoiding calculating KS orbitals. The objective of this project is to predict the lowest-energy structures of metals and alloys using orbital-free DFT as the energy calculator. The CALYPSO program, which is based on the particle swarm optimization method for structure searching, will be employed to predict these lowest-energy structures. The open-source, orbital-free DFT program, PROFESS, will be used for orbital-free DFT calculations. The student will learn how to install these programs on FSU’s high-performance computing system and conduct simulations. Additionally, the student will learn to write code to interface the CALYPSO program with the PROFESS program.
  please_add_any_additional_information_here: ''
  please_provide_a_link_to_your_publications_a_video_clip_or_a_web: 'https://sites.google.com/site/huangfsu/research/orbital-free-dft'
  please_select_the_choice_that_most_accurately_describes_your_exp: In-person
  please_select_the_location_of_your_project_: 'On FSU Main Campus'
  position_availability_for_student_research: 'Flexible schedule'
  position_title: Faculty
  primary_research_mentor_name: 'Chen Huang'
  project_keywords: 'materials simulation; computer simulations; programming; high-performance computing'
  relevant_student_major_s_: 'Open to all majors.'
  research_mentor_preferred_pronoun2: ''
  research_mentor_pronouns: ''
  research_mentor_supervisor_if_different_from_above_: ''
  research_tasks_for_student_research_assistant_s_: |
    Literature study to gain a basic understanding of the method used in the project. 
    Install programs on FSU's high-performance computing facility.
    Perform simulations using the installed programs. 
    Write scripts/codes to post-process simulation data.
  roundtable_times_and_zoom_links: ''
  skills_that_research_assistants_may_need_: 'The student does not need prior experience in programming or working with supercomputers. I will teach the student as the project progresses.'
  title_of_the_project: 'Prediction of metal structures using the orbital-free density functional theory '
  update_url: 'https://cre.fsu.edu/urop-research-mentor-project-submission-portal?element_parents=elements/research_mentor_information/headshot_optional_&ajax_form=1&_wrapper_format=drupal_ajax&token=ELck0WJRkIgnTKthRrucFvBMVcWxzDc6osZLtoCVshQ'
  urop_performance_evaluation: '1'
  urop_poster_presentation: '1'
  when_potential_research_assistants_are_reaching_out_via_email_2: ''
  when_potential_research_assistants_are_reaching_out_via_email_wh: ''
  when_students_are_reaching_out_via_email_what_is_your_preferreda: 'Prof. or Dr. '
  would_you_like_to_participate_in_the_urop_research_mentor_round2: 'No'
  would_you_like_to_participate_in_the_urop_research_mentor_roundt: ''
  year: '2024'