Lisa A. Fredin

Dr. Fredin (Fred+Dean) earned her B.S. in chemistry, biochemistry, and applied mathematics with a minor in computer science from the University of Texas at Austin. After taking advantage of undergraduate research opportunities in fields from microbiology to synthetic inorganic chemistry, she went to graduate school at Northwestern University, where she completed a joint computational-experimental Ph.D. in the groups of Mark A. Ratner and Tobin J. Marks, synthesizing molecules, measuring material properties, and modeling devices of hybrid organic-inorganic dielectrics. Choosing to focus on theoretical chemistry, she accepted a postdoctoral associateship at Lund University in Sweden with Petter Persson, where she modeled the photochemistry of transition-metal complexes for light-harvesting. She chose to come back to the states after two years as a National Research Council Research Associate to develop new computational tools that reduce the cost of screening materials for energy storage and generation applications at the National Institute of Standards and Technology in Gaithersburg, MD. 

Dr. Fredin’s research portfolio, initiated in 2015 at NIST, draws on her background combining experiment and theory to develop computational and theoretical models of fundamental electronic properties to design materials with targeted properties. At Lehigh, the Fredin group develops models for a broad range of surface science applications, bridging physical chemistry, material science, nanoscience, and computation; as well as, probing the boundaries of the particle and wave approximations of electrons in materials. 

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Current Funding

Sloan Research Fellowship 2024

National Science Foundation, Chemical Structure, Dynamics, and Mechanisms A (CSDM-A, CHE-2310205): Untangling Photoreactivity of Oxide Nanoparticles PI: Lisa A. Fredin

National Science Foundation ACCESS Allocations: Electronic Structure of Atomistic to Nanoscale Materials. PI: Lisa A. Fredin.  Allocation: TG-CHE190011 

Previous Funding

National Science Foundation, Campus Cyberinfrastructure (CC-NIE, OAC-2019035): CC* Compute: Acquisition of a Lehigh University HPC cluster to enhance collaboration, research productivity and educational impact. PI: Edmund B. Webb III., Co-PI: Lisa A. Fredin, Alex Pacheco, Ganesh Balasubramanian, Sirnivas Rangarajan 7/1/2020-6/30/2022.

National Science Foundation XSEDE Project: Electronic Structure of Atomistic to Nanoscale Materials. PI: Lisa A. Fredin. TG-CHE190011 04/01/2022-03/31/2023.

Lehigh Accelerator: Towards Higher Efficiency Solar Energy Harvesting: Singlet Exciton Fission and Multi-Exciton Generation in Organic Molecular Systems. PI: Ivan Biaggio; Co-PI: Lisa A. Fredin, Mark S. Chen, Elizabeth R. Young 01/2021-07/2023.

Lehigh Faculty Innovations Grant (FIG): Developing Robust Nanostructure Models; PI: Lisa A. Fredin 06/2021-06/2022.

National Science Foundation XSEDE Project: Electronic Structure of Atomistic to Nanoscale Materials. PI: Lisa A. Fredin. TG-CHE190011 04/01/2021-03/31/2022.

Charles E. Kaufman Foundation – Integrated Research-Education Grant: New Chemical Intuition for Excited-State Reactivity. PI: Lisa A. Fredin, Co-PI: Elizabeth R. Young 11/01/2020-10/31/2022.

Lehigh Collaborative Research Opportunity (CORE): Augmenting the Materials Genome with a New Understanding of Amorphous Solids; PI: Nicholas Strandwitz; Co-PI: Lisa A. Fredin, Edmund B. Webb III. 4/28/2020-12/2023.

Lehigh Collaborative Research Opportunity (CORE): A Path to New Crystalline, Covalent, Ferrocenic Frameworks: Synthesize, Evaluate, Design; PI: Lisa A. Fredin, Co-PIs: Kai Landskron, Elizabeth R. Young. 4/28/2020-08/2023.

National Science Foundation XSEDE Project: Electronic Structure of Atomistic to Nanoscale Materials. PI: Lisa A. Fredin. TG-CHE190011 04/01/2020-03/31/2021.

Lehigh Research Futures (RF): Grad Experience Collaborative Graduate Research Experience in Multiscale Modeling and Simulation of Materials and Interfaces. Wonpil Im, Chinedu Ekuma, Co-PI: Lisa A. Fredin, Yaling Liu, Dimitrios Vavylonis, Edmund B. Webb III. 6/3/2020-6/3/2021.

National Science Foundation XSEDE Project: Electronic Structure of Atomistic to Nanoscale Materials. PI: Lisa A. Fredin. TG-CHE190011 04/01/2019-03/31/2020.

National Science Foundation XSEDE Project: Atomistic and Nanoscale Heterogeneous Catalysis. PI: Lisa A. Fredin. TG-CHE180067 8/28/2018-8/28/2019.

Awards

Sloan Research Fellow 2024

Selected for Asst. Professor Poster Talk, Gordon Research Conference: Photochemistry 2023

Rising Talent Talk at American Conference on Theoretical Chemistry 2022

Lehigh Reemergence Grant 2021

Lehigh Class of 68 Fellowship 2019, 2020

American Chemical Society, Physical Chemistry Division (ACS-PHYS) Postdoctoral Award 2016

National Research Council (NRC) Postdoctoral Research Associateship, NIST 2015–2016

Postdoctoral Stipend, Lund University Chemistry 2012/2013

Materials Research Science and Engineering Center (MRSEC) Fellowship, NU 2010/2011

Participants’ Best Poster Award, Int. Winter School: Beyond Morse Law (4/50) 2010

ACS, Central Texas Section, Outstanding Senior Award 2007

Phi Beta Kappa, UT Austin 2005

UT Distinguished Scholar 2005–2006

Honors List Fall 2003–2005

UT Coop Merit Award Spring 2004

Scholarships & Travel Awards

Phi Lambda Upsilon Domestic Travel Grant Award, Northwestern 2011

Northwestern Graduate School Travel Grant Award, Northwestern 2011

NSF funded 2010 International Winter School: Beyond Morse Law in Jeju, Korea 2010

The University of Texas, Undergraduate Research Fellowship 2006–2007

Emory T. Peterson & Ella E. Peterson Endowed Presidential Scholarship 2006–2007

Swedish Excellence Endowment Scholarship 2006

Study Abroad Scholarship 2006

Dorothy B. Banks Charitable Trust Scholarship, San Antonio Area Foundation 2006–2007

National Phi Eta Sigma Scholarship 2006

Dow Chemical Scholarship 2005–2006

Teaching & Mentoring

Department of Chemistry, Lehigh University

Advised 5 graduate students, 15 undergraduate students, and 1 postdoc.

CHM 343: Physical Chemistry Laboratory (writing intensive), Fall 2024

CHM 341: Physical Chemistry: Molecular Structure, Bonding, & Dynamics , Spring 2019, 2020, 2021, 2022, 2023, 2024

CHM 488: Chemistry in Computers: extracting insights from molecules and materials, Fall 2019 & 2022

CHM 040: Honors General Chemistry, Fall 2018 & 2021

CHM 030: General Chemistry, Fall 2020

Department of Theoretical Chemistry, Lund University

Mentored 6-8 PhD Students on scientific writing: manuscripts, travel grant and job applications, 2013 – 2014

Mentored MS thesis student, 2013 – 2014

Mentored 2 BS project students, 2012 – 2014

Department of Chemistry, Northwestern University

Mentored 3 REU (Research Experience for Undergraduates) Students, 3 summers

Graduate Inorganic Chemistry, Teaching Assistant. (~50 students, 1 quarters)

General Chemistry, Teaching Assistant.  (~500 students, 2 quarters)

Gen. Chem. Lab, Teaching Assistant. (~20 students, 3 quarters) 

Tutor, General and Physical Chemistry. (10 students total, > 200 hrs), 2010 – 2012

UT Learning Center, The University of Texas at Austin                                            

College Reading and Learning Association Level III Master Tutor, 2004 – 2007

Reviewer for 

National Science Foundation: CSDM-A CAREER, CTMC, GRFP, PREM

Department of Energy: Condensed Phase and Interfacial Molecular Science (CPIMS) 

American Chemical Society – Petroleum Research Fund

American Chemical Society/ACS: Journal of Physical Chemistry (A, C, and Letters), Chemistry of Materials, ACS Nano, Central Science

American Institute of Physics/AIP: Journal of Applied Physics and Applied Physics Letters 

Nature: Nature, Nat. Chemistry, Photosynthesis Research

RSC: Advances, Journal of Materials Chemistry C, PhysChemChemPhys

Wiley-VCH: Angewandte Chemie

Elsevier: Chemical Physics, Chemical Physics Letters 

Previous Research

National Institute of Standards & Technology (NIST) 

2015–2018

Utilize and develop quantum chemical methods to study photochemical, electronic, and magnetic properties of energy storage and generation materials. Developed efficient methods for theoretically screening molecular light harvesters. 

Department of Theoretical Chemistry, Lund University

 2012–2014 with Petter Persson 

Calculated relaxed excited state surfaces of light-harvesting transition metal complexes including Fe and Ru. 

Department of Chemistry, Northwestern University

2007–2012 with Mark A. Ratner & Tobin J. Marks

Developed models, synthesized, and measured heterogeneous dielectrics.

Thesis: Nano and Molecular Scale Dielectrics: Encapsulated Inorganic Nanoparticle-Polymer Nanocomposites and Self-Assembled Nanodielectrics, Theory and Experiments.

Education

Northwestern University 

Doctor of Philosophy, Department of Chemistry, December 2012

Management for Scientist and Engineers Certificate, Kellogg School of Management, 2011 

The University of Texas at Austin 

Bachelors of Science, cum laude, in Chemistry, Biochemistry & Applied Mathematics with a minor in Computer Science, May 2007

Elements of Computing Certificate, Department of Computer Science, Jan. 2007 (minor equivalent)

Contact Prof. Fredin: lafredin@lehigh.edu