Thomas Allen Knotts Iv

6PUBLICATIONS
10CO-AUTHORS
Theory and design of materialsChemical thermodynamics and energeticsStatistical mechanics in chemistryComputational chemistryFunctional materials
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Publications (6)

|Aug 17, 2026
Machine learning prediction of organic compound melting points informed by condensed-phase and electronic descriptors.

|Nov 03, 2025
Prioritizing Data Quality in Machine Learning for Thermophysical Property Prediction: A Case Study on Normal Boiling Points of Organic Compounds.

Frank T Mtetwa, Neil F Giles, W Vincent Wilding

|Jun 09, 2023
Physics-Informed Neural Networks with Group Contribution Methods.

Mohammad Reza Babaei, Ryan Stone, Thomas Allen Knotts Iv

|Jan 24, 2022
New QSPRs for Liquid Heat Capacity.

Joseph Bloxham, Daniel Hill, Neil F Giles

|Sep 23, 2020
The Effects of p-Azidophenylalanine Incorporation on Protein Structure and Stability.

Joshua W Wilkerson, Addison K Smith, Kristen M Wilding

|Jul 03, 2020
Parameterization of Unnatural Amino Acids with Azido and Alkynyl R-Groups for Use in Molecular Simulations.

Addison K Smith, Joshua W Wilkerson, Thomas A Knotts

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Frequent Collaborators

2 joint publications

Addison K Smith

2 joint publications

Joshua W Wilkerson

2 joint publications

Frank T Mtetwa

2 joint publications

Neil F Giles