William A. Pisani

About William A. Pisani

As a computational scientist, I specialize in accelerating materials R&D by building the digital infrastructure that drives discovery. I design and deploy automated modeling workflows, leveraging Python and high-performance computing to solve complex challenges in materials science.My work has created new research capabilities and significantly reduced discovery cycle times for novel materials, from advanced polymer composites to ultra-high temperature ceramics.Key Accomplishments & Skills:* R&D Automation: Developed robust workflows using Python to automate molecular dynamics (MD) and density functional theory (DFT) simulations, enabling high-throughput screening of materials.* Project Leadership & Funding: Co-led and developed technical proposals that successfully secured over $1.7 million in new research funding.*Mentorship & Training: Passionate about elevating team capabilities through mentorship and by creating technical training resources for advanced modeling software.I am driven by the challenge of translating fundamental science into tangible technological advantages. I am always open to connecting with fellow professionals and discussing opportunities where my skills in computational science and automation can make an impact.Specialties: Materials Science, Computational Chemistry, Python, R&D, Automation, Molecular Dynamics (MD), Density Functional Theory (DFT), High-Performance Computing (HPC), Data Analysis, Scientific Software Development.

Experience

1. Research Chemist

   U.S. Army Engineer Research And Development Center Erdc

   Apr 2024 — Present · Vicksburg, MS, US

   Secured $1.8 million over three years in internal basic research funding for two materials discovery projects- Leading two basic research projects over FY25-27 as the de facto principal investigator: using machine learning approaches including convolutional neural networks and genetic algorithms to design 1) new polymers for shock attenuation, and 2) tougher, ultra-high temperature high-entropy ceramic/boron nitride composites- Developed and submitted, as PI, a second-round proposal for $0.91 million in internal basic research funding focused on rainbow polymers capable of self-reporting structural health through spectral changes- Led computational mechanics modeling of PLA/glass nanocomposites, multilayered polymer composites, polyurethane aerogels, gallium-indium liquid metals, and PEEK/PEKK–CNT/boron nitride composites- Received a recent performance rating of \"Level 5 Outstanding\", earning both a bonus and a salary increase- Contributed expertise and language to two second-round proposals worth a total of $1.86 million, and would be part of the computational team if funded- Contributed my expertise in ReaxFF simulations to the team’s efforts in supercritical water oxidation of PFAS- Mentored two postdoctoral fellows on using ERDC supercomputers for PFAS and polymer composite simulations- Communicated research findings to technical and non-technical stakeholders in regular internal meetings and the academic public at national conferences- Accelerated team research activities through the development of internal Julia and Python code- Developed activities for and led a two-day STEM outreach program for high school students

Education

• Michigan Technological University

  Doctor of Philosophy (Ph.D.), Mechanical Engineering - Engineering Mechanics

• Michigan Technological University

  Bachelor of Science (BS), Chemical Engineering

  2010 — 2014

Skills

• Python
• Latex
• Unisim
• Ovito
• R
• Visual Basic for Applications
• Html
• Chemical Engineering
• Mathematica
• Microsoft Office
• Linux
• Windows
• Simulations
• Lammps
• Engineering
• Chemistry
• Statics
• Research
• Modeling
• Matlab
• Molecular Dynamics Modeling