Presentation Type
Poster Presentation
Abstract
Cisplatin is a major chemotherapy drug that relies on a platinum-based core to deliver the properties necessary to combat cancer. This platinum-based core creates an undesired toxicity that poses challenges during treatment. The aim of this research is to employ quantum simulations to explore the stability of biochemicals such as cisplatin and predict their binding affinities for targets of interest. Variational Quantum Eigensolver (VQE) simulations are used to explore if the substitution of a core like Au or Pd are possible to retain anticancer efficacy but reduce its toxicity. With the use of these quantum simulations, we can run different molecular structures containing fewer toxic elements and analyze their stability. Once a base simulation is performed, we can use various sections of the VQE to improve accuracy, such-as a more complex ansatz or testing distinct optimizers. Along the path of performing simulations, we first need to cultivate an understanding of coding the necessary quantum environments. In combination with Density Functional Theory, these VQE methods will aid in theorizing if these specific metal substitution patterns are favorable.
Faculty Mentor
Dr. Joseph Weinstein-Webb
Recommended Citation
Hutchins, Clinton and Walmer, Laci, "Quantum Rings Simulations of Cisplatin" (2025). Student Scholar Symposium. 120.
https://digitalcollections.lipscomb.edu/student_scholars_symposium/2025/Full_schedule/120
Quantum Rings Simulations of Cisplatin
Cisplatin is a major chemotherapy drug that relies on a platinum-based core to deliver the properties necessary to combat cancer. This platinum-based core creates an undesired toxicity that poses challenges during treatment. The aim of this research is to employ quantum simulations to explore the stability of biochemicals such as cisplatin and predict their binding affinities for targets of interest. Variational Quantum Eigensolver (VQE) simulations are used to explore if the substitution of a core like Au or Pd are possible to retain anticancer efficacy but reduce its toxicity. With the use of these quantum simulations, we can run different molecular structures containing fewer toxic elements and analyze their stability. Once a base simulation is performed, we can use various sections of the VQE to improve accuracy, such-as a more complex ansatz or testing distinct optimizers. Along the path of performing simulations, we first need to cultivate an understanding of coding the necessary quantum environments. In combination with Density Functional Theory, these VQE methods will aid in theorizing if these specific metal substitution patterns are favorable.