Nikolay Tkachenko

University of California, Berkeley

United States

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Articles (15)

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2025

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2025

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2025

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2024

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2024

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2024

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2023

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2023

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2023

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2022

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2022

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2022

Collaborators (7)

Dariusz Szczepanik

Assistant Professor

Jagiellonian University

POLAND

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Craig Brown

UNITED STATES

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Naoki Aratani

Associate Professor

Nara Institute of Science and Technology（NAIST）

JAPAN

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Kurtis Carsch

Assistant Professor of Chemistry

University of Texas at Austin

UNITED STATES

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Ivan Popov

Assistant Professor

University of Akron

UNITED STATES

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Daiki Kuzuhara

Iwate University

JAPAN

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Martin Head-Gordon

University of California

UNITED STATES

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Nikolay Tkachenko

Research Interests

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Articles (15)

The approximate second order coupled-cluster method based on a size-consistent Brillouin–Wigner partitioning

Mechanistic Studies of Oxidative Degradation in Diamine-Appended Metal–Organic Frameworks Exhibiting Cooperative CO2 Capture

Computational Optimization of Room Temperature Usable Capacity for Hydrogen Storage in MFU-4-Type Metal–Organic Frameworks via Pairwise Metal Substitutions

Cobalt-Complexed Acetylenic Tetrads, a Molecular Scaffold for Quadruple Ionic Functionalization Reactions

Geometric Tuning of Coordinatively Unsaturated Copper(I) Sites in Metal–Organic Frameworks for Ambient-Temperature Hydrogen Storage

Conical Intersections at Interfaces Revealed by Phase-Cycling Interface-Specific Two-Dimensional Electronic Spectroscopy (i2D-ES)

Conflicting Aromaticity in Trirhodium(I) Rosarin

Smoother Semiclassical Dispersion for Density Functional Theory via D3S: Understanding and Addressing Unphysical Minima in the D3 Dispersion Correction Model

Smooth Dispersion Is Physically Appropriate: Assessing and Amending the D4 Dispersion Model

Overlapping electron density and the global delocalization of π‐aromatic fragments as the reason of conductivity of the biphenylene network

Neural network atomistic potentials for global energy minima search in carbon clusters

Tinning the carbon: hydrostannanes strike back

Symmetry collapse due to the presence of multiple local aromaticity in Ge244−

The Source of Proton in the Noyori–Ikariya Catalytic Cycle

Performance Analysis of CP2K Code for Ab Initio Molecular Dynamics on CPUs and GPUs

Collaborators (7)

Dariusz Szczepanik

Craig Brown

Naoki Aratani

Kurtis Carsch

Ivan Popov

Daiki Kuzuhara

Martin Head-Gordon

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