CarlosmurilorochainNetherlands eScience CenterQuantum Computing for Quantum Chemistry with qc2Quantum Computing is a rapidly evolving field that has the potential to transform the way we approach complex computational problems…Jun 27
Eli HatcherVariational Quantum EigensolversWhat they are, why they’re cool, and how they workNov 9, 20221
James McDonaghinChemical-modellingDoing Quantum Chemistry through PythonIn this article we will explore running quantum chemistry through python using the Psi4 program.Jun 26, 2023Jun 26, 2023
Ilakkuvaselvi (Ilak) ManoharaninRead or Die!143. A Quantum Chemistry RiddleI exist in a superposition of states,Feb 28Feb 28
Shoubhik R MaitiIntroduction to Molecular Modelling: Part 10 (Absorption spectra)In this post, I will cover the prediction of electronic spectra with computational chemistry. Electronic spectra usually indicate…Jul 30, 2022Jul 30, 2022
CarlosmurilorochainNetherlands eScience CenterQuantum Computing for Quantum Chemistry with qc2Quantum Computing is a rapidly evolving field that has the potential to transform the way we approach complex computational problems…Jun 27
Eli HatcherVariational Quantum EigensolversWhat they are, why they’re cool, and how they workNov 9, 20221
James McDonaghinChemical-modellingDoing Quantum Chemistry through PythonIn this article we will explore running quantum chemistry through python using the Psi4 program.Jun 26, 2023
Ilakkuvaselvi (Ilak) ManoharaninRead or Die!143. A Quantum Chemistry RiddleI exist in a superposition of states,Feb 28
Shoubhik R MaitiIntroduction to Molecular Modelling: Part 10 (Absorption spectra)In this post, I will cover the prediction of electronic spectra with computational chemistry. Electronic spectra usually indicate…Jul 30, 2022
Benjamin Obi Tayo Ph.D.inModern PhysicsTutorial on Density Functional Theory using GAMESSThis tutorial is for beginners who are interested in learning how to set up and run a first-principle calculation based on density…Feb 23, 20191
Shoubhik R MaitiinThe StartupIntroduction to molecular modelling: part 4 (Transition states)This is part of the ongoing series of blogs where I write about the how-to of the molecular modelling. This is mainly focused on the…Nov 12, 20203
